101482-89-7 ((Naphthalenecarboxaldehyde, 2-hydroxy-)

CAS号:
101482-89-7
英文名称:
Naphthalenecarboxaldehyde, 2-hydroxy-
分子式:
C11H8O2
分子量:
172.180023193359

Naphthalenecarboxaldehyde, 2-hydroxy-(101482-89-7)名称与标识符

名称

英文别名:
Naphthalenecarboxaldehyde, 2-hydroxy-;CHEMBL3265255;.beta.-Hydroxy-.alpha.-naphthaldehyde;CHEBI:137369;2-hydroxynaphthalene-1-carbaldehyde;2-Hydroxy-1-naphthaldehyde, technical grade;SCHEMBL304032;BRN 0742777;2-Hydroxy-naphthaldehyde;STK189371;NS00007147;beta-Hydroxy-alpha-naphthaldehyde;NSC 2104;2-Naphthol 1-carboxaldehyde;AI3-24517;708-06-5;2-hydroxy-1-naphthoaldehyde;CFL-137;AS-14481;1-Naphthalenecarboxaldehyde, 2-hydroxy-;EINECS 211-902-0;2-hydroxy-naphthalene 1-carbaldehyde;2-Hydroxy-1-naphthalenealdehyde;BDBM50013794;HY-W016889;4-08-00-01160 (Beilstein Handbook Reference);DB-055453;DTXSID9061041;1-Formyl-2-hydroxy-naphthalene;AMY40301;NSC-402586;.beta.-Hydroxynaphthaldehyde;D77812;2-Hydroxy-1-naphthalenecarboxaldehyde;beta-Hydroxynaphthaldehyde;(z)-1-(hydroxymethylene)naphthalen-2(1h)-one;2-hydroxynaphthalene-1-aldehyde;UNII-PP9CFN7QNL;101482-89-7;NSC2104;PD139178;NSC-2104;A23776;A18872;InChI=1/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13;2-Hydroxy-1-naphthalaldehyde;Q63398130;1-Hydroxy-2-naphthalenecarboxaldehyde;MFCD00004005;EC 211-902-0;1-naphthalenecarboxaldehyde, 2-hydroxy;EN300-18408;2-Hydroxynaphthaldehyde;2-Naphthol-1-aldehyde;NC-014;2-Hydroxy-1-naphthylaldehyde;AKOS000118889;AC-5786;CS-W017605;Z57772483;F0020-1892;2-Hydroxy-1-naphthaldehyde;2-Hydroxy-1-napthaldehyde;PP9CFN7QNL;Probes2_000080;1-Formyl-2-naphthol;1-NAPHTHALDEHYDE, 2-HYDROXY-;2-hydroxy-naphthalene-1-carbaldehyde;1-Formylnaphthalen-2-ol;AH-034/32464020;Q-200286;2-Hydroxynaphthalene-1-carboxaldehyde;H0275;2-Hydroxy-.alpha.-naphthaldehyde;

标识符

InChIKey:
NTCCNERMXRIPTR-UHFFFAOYSA-N
Inchi:
1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H
SMILES:
OC1=CC=C2C=CC=CC2=C1C=O

Naphthalenecarboxaldehyde, 2-hydroxy-(101482-89-7)物化性质

实验特性

  • PSA : 37.3

计算特性

  • 精确分子量 : 172.05244
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 1
  • 同位素质量 : 172.052429494g/mol
  • 重原子数量 : 13
  • 复杂度 : 191
  • 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) : 2.8
  • 拓扑分子极性表面积 : 37.3Ų

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