5-Hydroxy-6-methoxy-2-indolylcarboxylic acid
Basic information
- CAS
2495-80-9- Standard SMILES
COc1cc2[nH]c(C(=O)O)cc2cc1O- InChIKey
FWKJNOVLYWGWCH-UHFFFAOYSA-N- Molecular formula
- C10H9NO4
- Average molar mass
- 207.18 g/mol
- Monoisotopic mass
- 207.05315777
Overview
metabolite found in urine of mammals having melanotic melanoma
Names & identifiers
- Preferred name
- 5-Hydroxy-6-methoxy-2-indolylcarboxylic acid
- IUPAC
- 5-hydroxy-6-methoxy-1H-indole-2-carboxylic acid
- English name
- 5-hydroxy-6-methoxy-2-indolylcarboxylic acid
- Molecular formula
- C10H9NO4
- Molecular weight
- 207.18
Names & synonyms
2495-80-9HMICA5-Hydroxy-6-methoxy-2-indolylcarboxylic acid5-Hydroxy-6-methoxy-2-indolecarboxylic acidDTXSID201796615-Hydroxy-6-methoxyindole-2-carboxylic acid5H6MI2CRefChem:102819DTXCID801021525-hydroxy-6-methoxy-1h-indole-2-carboxylic acid5-Hydroxy-6-methoxyindole-carboxylic acid1H-Indole-2-carboxylic acid, 5-hydroxy-6-methoxy-
Show more names
SCHEMBL6285596SCHEMBL29379466FH662765-hydroxy-6-methoxyindole-2-carboxylicWS-00716D853945-hydroxy-6-methoxy-1h-indole-2-carboxylicacidF841463
Database identifiers
- CAS
2495-80-9- PubChem CID
- 160640
- DTXSID
DTXSID20179661- Nikkaji
- J413.171A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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