2746-19-2 (顺-5-降冰片烯-外-2,3-二甲酸酐,cis-Norbornene-exo-2,3-dicarboxylic Anhydride)

CAS号:
2746-19-2
中文名称:
顺-5-降冰片烯-外-2,3-二甲酸酐
英文名称:
cis-Norbornene-exo-2,3-dicarboxylic Anhydride
安全信息:
分子式:
C9H8O3
分子量:
164.1580

顺-5-降冰片烯-外-2,3-二甲酸酐(2746-19-2)名称与标识符

名称

中文别名:
顺-5-降冰片烯-外-2,3-二甲酸酐;顺-5-降冰片烯-外型-2,3-二羧酸酐;顺-5-降冰片-2,3-二甲酸酐;顺式-5-降冰片烯-EXO-2,3-二羧酸酐;顺-5-降冰片烯-外型-2,3-二甲酸酐;顺-5-降冰片烯-外-2,3-二羧酸酐;cis-5-降冰片烯-exo-2,3-二羧酸酐;Exo-5-酒石酸-2,3-二羧酸酐;鲁拉西酮Lurasidone中间体, 顺-5-降冰片烯-外-2,3-二羧酸酐;顺式-5-降冰片烯-外-2,3-二羧酸酐;鲁拉西酮中间体4;双环[2.2.1]庚-5-烯-外-2,3-二酸酐;
英文别名:
(3aR,4R,7S,7aS)-rel-3a,4,7,7a-Tetrahydro-4,7-methanoisobenzofuran-1,3-dione;CIS-5-NORBORNENE-EXO-2,3-DICARBOXYLIC ANHYDRIDE;BICYCLO[2.2.1]HEPT-5-ENE-EXO-2,3-DICARBOXYLIC ANHYDRIDE;(1α,2α,3β,6{f1b})-1,2,3,6-tetrahydro-3,6-methanophthalicanhydride;(3at,7at)-3a,4,7,7a-tetrahydro-4r,7c-methano-isobenzofuran-1,3-dione;3at,7at-3a,4,7,7a-tetrahydro-4r,7c-methano-isobenzofuran-1,3-dione;4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aalpha,4beta,7beta,7aalpha)-;5-Norbornene-2,3-dicarboxylic anhydride, cis-exo-;bicyclo(2.2.1)heptene-5-exo-2,3-dicarboxylicanhydride;Exo-5-norbornene-2,3-dicarboxylic anhydride;(cis)-5-Norbornene-endo-2,3-dicarboxylic anhydride;(1α,2α,3β,6β)-1,2,3,6-tetrahydro-3,6-methanophthalic anhydride;4,7-Methanoisobenzofuran-1,3-dione,3a,4,7,7a-tetrahydro-, (3aR,4R,7S,7aS)-rel-;cis-Norbornene-exo-2;cis-Norbornene-exo-2,3-dicarboxylic Anhydride;exo-3,6-Methylene-1,2,3,6-tetrahydrophthalic anhydride;cis-5-Norbornene-endo-2,3-dicarboxylic anhydride;Himic anhydride;N1KQO6559B;4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aR,4R,7S,7aS)-rel-;4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aalpha,4beta,7beta,7aalpha)- (9CI);exo-5-Norbornene-2,3-dicarboxylic anhyd;AS-18256;5-NORBORNENE-2,3-DICARBOXYLIC ANHYDRIDE, EXO-CIS-;NSC 110659;(1R,2R,6S,7S)-4-Oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;exo-3,6-Methylene-4-cyclohexene-1,2-dicarboxylic Anhydride;BCP04730;Di-exo-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride;Norborn-5-ene-2,3-dicarboxylic anhydride 2-exo, 3-exo isomere;rel-(3aR,4R,7S,7aS)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione;NSC-110659;EXO-CARBIC ANHYDRIDE;Q-101138;(1alpha,2alpha,3beta,6beta)-1,2,3,6-Tetrahydro-3,6-methanophthalicanhydride;(3aR,4R,7S,7AS)-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dione;EINECS 220-384-5;4,7-methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aR,4R,7S,7aS)-;(1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;InChI=1/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2/t4-,5+,6+,7;cis-5-Norbornene-endo-2,3-dicarboxylic anhydride, 95%;2746-19-2;SCHEMBL4940217;cis-5-Norbornene-exo-2,3-dicarboxylic anhydride, 95%;UNII-N1KQO6559B;4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-,(3aR,4R,7S,7aS)-rel-;DTXSID70883721;FD14037;CS-W008293;(3AR,7S,7AS)-3A,4,7,7A-TETRAHYDRO-4,7-METHANOISOBENZOFURAN-1,3-DIONE;Q27284391;endicanhydride;H10751;AKOS015999001;AC-8833;exo-5-Norbornene-1,2-dicarboxylic Anhydride;EXO-NADIC ANHYDRIDE;

标识符

MDL:
MFCD00630580
InChIKey:
KNDQHSIWLOJIGP-RNGGSSJXSA-N
Inchi:
1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2/t4-,5+,6+,7-
SMILES:
O1C([C@@]2([H])[C@@]([H])(C1=O)[C@]1([H])C([H])=C([H])[C@@]2([H])C1([H])[H])=O

顺-5-降冰片烯-外-2,3-二甲酸酐(2746-19-2)物化性质

实验特性

  • 沸点 : 331.1℃ at 760 mmHg
  • 熔点 : 142.0 to 146.0 deg-C
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 密度 : 1.4050

计算特性

  • 精确分子量 : 164.047344113g/mol
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 0
  • 同位素质量 : 164.047344113g/mol
  • 重原子数量 : 12
  • 复杂度 : 277
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0.7
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 43.4

顺-5-降冰片烯-外-2,3-二甲酸酐(2746-19-2)安全信息

顺-5-降冰片烯-外-2,3-二甲酸酐(2746-19-2)国际标准相关数据

EINECS:
220-384-5

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顺-5-降冰片烯-外-2,3-二甲酸酐(2746-19-2)参考资料

Reaxys RN:
83658
Beilstein:
17(5)11,192
PubChem CID: