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1219561-35-9 | 5-Pyrimidinecarboxylic acid, 2-cyclopropyl-1,6-dihydro-6-oxo-
CAS No: 1219561-35-9 Catalog No: AG0016G7 MDL No:MFCD18178868
Product Description
Catalog Number:
AG0016G7
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-cyclopropyl-1,6-dihydro-6-oxo-
CAS Number:
1219561-35-9
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD18178868
IUPAC Name:
2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C8H8N2O3/c11-7-5(8(12)13)3-9-6(10-7)4-1-2-4/h3-4H,1-2H2,(H,12,13)(H,9,10,11)
InChI Key:
MXHHAGWGXAVVGK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc([nH]c1=O)C1CC1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.163g/mol
Monoisotopic Mass:
180.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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