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20865-52-5 | 4-Pyrimidinecarboxylic acid, 6-amino-1,2-dihydro-5-methyl-2-oxo-
CAS No: 20865-52-5 Catalog No: AG002JT7 MDL No:
Product Description
Catalog Number:
AG002JT7
Chemical Name:
4-Pyrimidinecarboxylic acid, 6-amino-1,2-dihydro-5-methyl-2-oxo-
CAS Number:
20865-52-5
Molecular Formula:
C6H7N3O3
Molecular Weight:
169.1381
IUPAC Name:
4-amino-5-methyl-2-oxo-1H-pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C6H7N3O3/c1-2-3(5(10)11)8-6(12)9-4(2)7/h1H3,(H,10,11)(H3,7,8,9,12)
InChI Key:
VHOIFXNGTDEMNG-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(=O)[nH]c(c1C)N
NSC Number:
98529
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
169.14g/mol
Monoisotopic Mass:
169.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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