Indole-3-glyoxylic acid, dimethylhydrazide

HCID 21141

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Basic information

CAS: 5055-38-9
Standard SMILES: CN(C)NC(=O)C(=O)c1c[nH]c2ccccc12
InChIKey: VBNQBFCBVOIGJQ-UHFFFAOYSA-N
Molecular formula: C12H13N3O2
Average molar mass: 231.25 g/mol
Monoisotopic mass: 231.10077667

Names & identifiers

Preferred name: Indole-3-glyoxylic acid, dimethylhydrazide
IUPAC: 2-(1H-indol-3-yl)-N',N'-dimethyl-2-oxoacetohydrazide

Names & synonyms

BRN 0404617INDOLE-3-GLYOXYLIC ACID, DIMETHYLHYDRAZIDEunsym-Dimethylhydrazino-3-indolylglyoxamide5055-38-9DTXSID70198584RefChem:349330DTXCID301210752-(1H-indol-3-yl)-N',N'-dimethyl-2-oxoacetohydrazide

Database identifiers

CAS: 5055-38-9
PubChem CID: 21141
DTXSID: DTXSID70198584

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 65.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 317

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