1004301-38-5 ((5-2-(3-carboxy-4-hydroxyphenyl)diazen-1-yl-2-hydroxybenzoic acid)

CAS号:
1004301-38-5
英文名称:
5-2-(3-carboxy-4-hydroxyphenyl)diazen-1-yl-2-hydroxybenzoic acid
分子式:
C14H10N2O6
分子量:
302.239003658295

5-2-(3-carboxy-4-hydroxyphenyl)diazen-1-yl-2-hydroxybenzoic acid(1004301-38-5)名称与标识符

名称

英文别名:
5-2-(3-carboxy-4-hydroxyphenyl)diazen-1-yl-2-hydroxybenzoic acid;3,3'-Azobis(6-hydroxybenzoic acid);C. i. mordant yellow 5;SY107522;5,5'-(diazene-1,2-diyl)bis(2-hydroxybenzoic acid);5-[2-(3-carboxy-4-hydroxyphenyl)diazen-1-yl]-2-hydroxybenzoic acid;AKOS040744639;SCHEMBL25118;BIDD:GT0392;5,5'-Azobis(salicylic acid);CHEMBL425;Azodisal;5-[(E)-2-(3-carboxy-4-hydroxyphenyl)diazen-1-yl]-2-hydroxybenzoic acid;Olsalazina;OLSALAZINE [VANDF];AS-15939;3,3'-diazene-1,2-diylbis(6-hydroxybenzoic acid);Salicylic acid, 5,5'-azodi-;Olsalazinum;5-[(E)-(3-carboxy-4-oxidanyl-phenyl)diazenyl]-2-oxidanyl-benzoic acid;Olsalazine;CHEBI:7770;DB01250;MFCD00013300;Benzoic acid, 3,3'-azobis(6-hydroxy-;Olsalazine [INN:BAN];UNII-ULS5I8J03O;YSZC1205;JBC;DTXSID8023391;15722-48-2;1004301-38-5;AKOS037643377;3,3'-(1,2-diazenediyl)Bis(6-Hydroxy-Benzoic Acid);ULS5I8J03O;Olsalazina [Spanish];D08295;A809825;HY-B0174A;Salicylic acidDipentium;Q347621;Dipentium;Olsalazine (INN);5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid;C07323;CJ91B;Olsalazinum [Latin];GTPL11578;QQBDLJCYGRGAKP-UHFFFAOYSA-N;BDBM50548283;F88555;(Z)-5,5'-(diazene-1,2-diyl)bis(2-hydroxybenzoic acid);5,5'-azodisalicylic acid;C.I. Mordant Yellow 5;SCHEMBL25119;CS-0009548;EN300-18560034;starbld0009635;OLSALAZINE [WHO-DD];Rasal;3,3'-(E)-diazene-1,2-diylbis(6-hydroxybenzoic acid);(E)-5,5'-(diazene-1,2-diyl)bis(2-hydroxybenzoic acid);mordant yellow 5;OLSALAZINE [INN];OLSALAZINE [MI];CHEMBL1208644;PD055722;5-[(2Z)-2-(3-carboxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]-2-hydroxy-benzoic acid;SCHEMBL29768;SCHEMBL2628413;Dipentum;AC-8144;Q-201512;

标识符

MDL:
MFCD00602469
InChIKey:
QQBDLJCYGRGAKP-FOCLMDBBSA-N
Inchi:
1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b16-15+
SMILES:
OC1=CC=C(C=C1C(=O)O)/N=N/C1=CC=C(C(C(=O)O)=C1)O

5-2-(3-carboxy-4-hydroxyphenyl)diazen-1-yl-2-hydroxybenzoic acid(1004301-38-5)物化性质

计算特性

  • 精确分子量 : 302.05388604g/mol
  • 氢键供体数量 : 4
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 4
  • 同位素质量 : 302.05388604g/mol
  • 重原子数量 : 22
  • 复杂度 : 415
  • 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) : 3.1
  • 拓扑分子极性表面积 : 140Ų

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