2-Amino-6-oxo-2,4-hexadienoic acid

HCID 30CAS 150994-59-5
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Basic information

Standard SMILES
NC(=CC=CC=O)C(=O)O
InChIKey
QCGTZPZKJPTAEP-UHFFFAOYSA-N
Molecular formula
C6H7NO3
Average molar mass
141.12 g/mol
Monoisotopic mass
141.04259309

Names & identifiers

Preferred name
2-Amino-6-oxo-2,4-hexadienoic acid
IUPAC
2-amino-6-oxohexa-2,4-dienoic acid

Names & synonyms

150994-59-5DTXSID9012969282-amino-6-oxo-2,4-hexadienoic acidRefChem:1062206DTXCID2013756642-amino-6-oxohexa-2,4-dienoic acidSCHEMBL637960245128-91-0DB-2929032-AMINO-6-OXO-HEXA-2,4-DIENOIC ACID

Database identifiers

CAS
150994-59-5
PubChem CID
30
DTXSID
DTXSID901296928

Properties

Computed structural properties

XLogP
-0.3
Topological polar surface area
80.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
10

Related reactions

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