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157335-91-6 | 5-Pyrimidinecarboxylic acid, 1,2-dihydro-2-hydroxy-4-methyl-
CAS No: 157335-91-6 Catalog No: AG001PEE MDL No:
Product Description
Catalog Number:
AG001PEE
Chemical Name:
5-Pyrimidinecarboxylic acid, 1,2-dihydro-2-hydroxy-4-methyl-
CAS Number:
157335-91-6
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
IUPAC Name:
2-hydroxy-6-methyl-1,2-dihydropyrimidine-5-carboxylic acid
InChI:
InChI=1S/C6H8N2O3/c1-3-4(5(9)10)2-7-6(11)8-3/h2,6,8,11H,1H3,(H,9,10)
InChI Key:
NSGGOOAFNWDDCW-UHFFFAOYSA-N
SMILES:
OC1NC=C(C(=N1)C)C(=O)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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