Basic information
- CAS
40990-52-1- Standard SMILES
O=C(O)c1cc(O)c2cc[nH]c2c1- InChIKey
TXZOAKBAZXCPGT-UHFFFAOYSA-N- Molecular formula
- C9H7NO3
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.04259309
Names & identifiers
- Preferred name
- 4-Hydroxy-1H-indole-6-carboxylic acid
- IUPAC
- 4-hydroxy-1H-indole-6-carboxylic acid
- English name
- 4-Hydroxy-6-indolecarboxylic acid
- Molecular formula
- C9H7NO3
- Molecular weight
- 177.16
Names & synonyms
4-Hydroxy-1H-indole-6-carboxylic acid40990-52-14-Hydroxy-6-indolecarboxylic acid4-Hydroxyindole-6-carboxylic acidMFCD049739884-hydroxyl-1h-indole-6-carboxylic acid1H-Indole-6-carboxylic acid, 4-hydroxy-SCHEMBL7163885DTXSID806279914-Hydroxy-1H-indole-6-carboxylicacidAKOS006292688AB21429
Show more names
4-Hydroxyindole-6-carboxylic acid, 97%SY293899DB-070121CS-0317863G85054F240462
Database identifiers
- CAS
40990-52-1- PubChem CID
- 22742930
- DTXSID
DTXSID80627991
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Boiling point
- 517.6 · 517.6±35.0 °C(Predicted)
- Density
- 1.57 · 1.570±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.32 · 4.32±0.30(Predicted)
- form
- Solid
- color
- Pale brown to brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Safety & regulation
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers17 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海悦耳化学品有限公司+86-021-50890968，021-50891159 +86-18601776121
苏州启航生物科技有限公司18151111370
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
武汉代为医药科技有限公司027-65318838 13646286950 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
郑州如科生物科技有限公司15981811963 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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