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1281291-37-9 | 4-Pyrimidinecarboxylic acid, 1,6-dihydro-2-(1-methylethyl)-6-oxo-
CAS No: 1281291-37-9 Catalog No: AG000XTG MDL No:MFCD15731673
Product Description
Catalog Number:
AG000XTG
Chemical Name:
4-Pyrimidinecarboxylic acid, 1,6-dihydro-2-(1-methylethyl)-6-oxo-
CAS Number:
1281291-37-9
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
MDL Number:
MFCD15731673
IUPAC Name:
6-oxo-2-propan-2-yl-1H-pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C8H10N2O3/c1-4(2)7-9-5(8(12)13)3-6(11)10-7/h3-4H,1-2H3,(H,12,13)(H,9,10,11)
InChI Key:
YOOAASFJFVYFMH-UHFFFAOYSA-N
SMILES:
CC(c1nc(cc(=O)[nH]1)C(=O)O)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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