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Product details

名称

吲哚-4-羧酸

分子类型

小分子

别名

吲哚-4-甲酸

英文别名

SCHEMBL40257 | 1h-4-indolecarboxylic acid | AC-3145 | indol-4-yl carboxylic acid | NCGC00324814-01 | FT-0602312 | SY004026 | AB01320195-02 | AKOS000265423 | E0013 | EN300-41008 | 4-INDOLECARBOXYLIC ACID | DTXSID60344230 | 1H-Indole-4-carboxylic acid | PB1

英文名称

Indole-4-carboxylic Acid

货号

I418719-100g

包装规格

100g

浓度

≥97%

运输条件

常规运输

产品介绍

吡咯羧酸和吲哚的叔丁酯可以很容易的通过直接处理N,N-二甲基甲酰胺二叔丁基乙缩醛来制备。 Product Application： Reactant for preparation of substituted indole derivatives as histamine H3 antagonists Reactant for preparation of potent and selective inhibitors of human reticulocyte 15-lipoxygenase-1 Reactant for preparation of inhibitors of Gli1-mediated transcription in Hedgehog pathway Reactant for preparation of pyridinyl carboxylates as SARS-CoV 3CL proinhibitors Reactant for preparation of substituted bipiperidinylmethyl amides as CCR3 membrane binding ligands Reactant for preparation of indole amide hydroxamic acids as potent inhibitors of histone deacetylases Reactant for preparation of 2-[[[4′-chloro-[1,1-biphenyl]-4-yl]thio]methyl]-N-hydroxybutanamide derivatives as specific metalloproteinase

CAS号

2124-55-2

分子式

C9H7NO2

分子量

161.16 g/mol

Beilstein号

22(5)3,43

MDL号

MFCD00009739

PubChem编号

595229

Isomeric SMILES

C1=CC(=C2C=CNC2=C1)C(=O)O

IIUPAC Name

1H-indole-4-carboxylic acid

INCHI

1S/C9H7NO2/c11-9(12)7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,(H,11,12)

InChi Key

ROGHUJUFCRFUSO-UHFFFAOYSA-N

Smiles

C1=CC(=C2C=CNC2=C1)C(=O)O

PubChem SID

504759430

熔点

209.0 ~214.0℃

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

161.048 Da

单同位素质量Monoisotopic Mass

161.048 Da

拓扑极表面积Topological Polar Surface Area

53.100 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

193.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.300

Reaxy-Rn

129484

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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