Basic information
- CAS
24370-76-1- Standard SMILES
O=C(O)c1c[nH]c2cccc(O)c12- InChIKey
WBCFTHLZBHZMGB-UHFFFAOYSA-N- Molecular formula
- C9H7NO3
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.04259309
Names & identifiers
- Preferred name
- 4-Hydroxy-1H-indole-3-carboxylic acid
- IUPAC
- 4-hydroxy-1H-indole-3-carboxylic acid
- English name
- 4-Hydroxyindole-3-carboxylic acid
- Molecular formula
- C9H7NO3
- Molecular weight
- 177.16
Names & synonyms
4-Hydroxy-1H-indole-3-carboxylic acid24370-76-14-Hydroxyindole-3-carboxylic acid1H-Indole-3-carboxylic acid, 4-hydroxy-Indole-3-carboxylic acid, 4-hydroxy-SCHEMBL2003960DTXSID10344124WBCFTHLZBHZMGB-UHFFFAOYSA-N4-Hydroxy-1H-indole-3-carboxylicacidAKOS0062861314-Hydroxy-1H-indole-3-carboxylic acid #DB-426614
Show more names
NS00112515G62524EN300-1275528
Database identifiers
- CAS
24370-76-1- PubChem CID
- 594570
- DTXSID
DTXSID10344124- Nikkaji
- J102.593G
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
- 511.4 · 511.4±30.0 °C(Predicted)
- Density
- 1.57 · 1.570±0.06 g/cm3(Predicted)
- pka
- 3.15 · 3.15±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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