Basic information
- CAS
35656-49-6- Standard SMILES
O=C([O-])C(=O)Cc1c[nH]c2ccccc12- InChIKey
RSTKLPZEZYGQPY-UHFFFAOYSA-M- Molecular formula
- C11H8NO3-
- Average molar mass
- 202.19 g/mol
- Monoisotopic mass
- 202.0509667
Overview
3-(indol-3-yl)pyruvate is a indol-3-yl carboxylic acid anion that is the conjugate base of 3-(indol-3-yl)pyruvic acid. It has a role as a Saccharomyces cerevisiae metabolite and a plant metabolite. It is a 2-oxo monocarboxylic acid anion and an indol-3-yl carboxylic acid anion. It is a conjugate base of a 3-(indol-3-yl)pyruvic acid.
Names & identifiers
- Preferred name
- 3-(1H-Indol-3-yl)-2-oxopropanoate
- IUPAC
- 3-(1H-indol-3-yl)-2-oxopropanoate
Names & synonyms
3-(1H-indol-3-yl)-2-oxopropanoateDTXSID60957041RefChem:1066413DTXCID6013849903-(indol-3-yl)pyruvate35656-49-6indole-pyrCHEBI:17640RSTKLPZEZYGQPY-UHFFFAOYSA-ME80975Q27102492
Database identifiers
- CAS
35656-49-6- PubChem CID
- 5460337
- DTXSID
DTXSID60957041- ChEBI
CHEBI:17640
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- -1
- Complexity
- 271
Related reactions
26 records
Compound notes
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