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1368444-27-2 | 4-Pyrimidinecarboxylic acid, 2-cyclopentyl-1,6-dihydro-6-oxo-
CAS No: 1368444-27-2 Catalog No: AG0012GN MDL No:MFCD21875391
Product Description
Catalog Number:
AG0012GN
Chemical Name:
4-Pyrimidinecarboxylic acid, 2-cyclopentyl-1,6-dihydro-6-oxo-
CAS Number:
1368444-27-2
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
MDL Number:
MFCD21875391
IUPAC Name:
2-cyclopentyl-6-oxo-1H-pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C10H12N2O3/c13-8-5-7(10(14)15)11-9(12-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,14,15)(H,11,12,13)
InChI Key:
ABNJQFRZEQANQP-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc([nH]c(=O)c1)C1CCCC1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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