6-hydroxy-4-pyrimidine carboxylic acid

6-hydroxy-4-pyrimidine carboxylic acid
Compound Structure:
Synonyms: 6-Hydroxypyrimidine-4-carboxylic acid;6299-87-2;6-Hydroxy-4-pyrimidinecarboxylic acid;6-Oxo-3,6-dihydropyrimidine-4-carboxylic acid;NSC45047;MFCD00023267;1860506-22-4;6-OXO-1H-PYRIMIDINE-4-CARBOXYLIC ACID
Compound ID: NMPC-472
PubChem ID:

135432441
Molecular Formula: C5H4N2O3
Canonical SMILES: C1=C(N=CNC1=O)C(=O)O
InChIKey: QYGHXDAYBIFGKI-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

140.10 g/mol

XLogP3-AA

-1

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

1

Exact Mass

140.02219199 g/mol

Monoisotopic Mass

140.02219199 g/mol

Topological Polar Surface Area

78.8Ų

Heavy Atom Count

10

Formal Charge

0

Complexity

241

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Vernonia blumeoides
Download SDF