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2-carboxy-Pyrimidine

CAT: 0024-sc-205082Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-205082Size:100 mg
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CAS Number
31519-62-7

Chemical Information

Pyrimidine-2-carboxylic acid
CAS Number31519-62-7
PubChem CID12626245
IUPAC Namepyrimidine-2-carboxylic acid
Molecular FormulaC5H4N2O2
Molecular Weight124.10
XLogP-0.5
Topological Polar Surface Area63.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity110
SMILES
C1=CN=C(N=C1)C(=O)O
InChI
InChI=1S/C5H4N2O2/c8-5(9)4-6-2-1-3-7-4/h1-3H,(H,8,9)
InChIKey
ZFCHNZDUMIOWFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrimidine-2-carboxylic acid
CAS: 31519-62-7
CID: 12626245
Formula: C5H4N2O2
MW: 124.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight124.10
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass124.027277375
Monoisotopic Mass124.027277375
Topological Polar Surface Area63.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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