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306960-70-3 | 5-Pyrimidinecarboxylic acid, 1,2-dihydro-2-oxo-4-propyl-
CAS No: 306960-70-3 Catalog No: AG0030YS MDL No:
Product Description
Catalog Number:
AG0030YS
Chemical Name:
5-Pyrimidinecarboxylic acid, 1,2-dihydro-2-oxo-4-propyl-
CAS Number:
306960-70-3
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
IUPAC Name:
2-oxo-6-propyl-1H-pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C8H10N2O3/c1-2-3-6-5(7(11)12)4-9-8(13)10-6/h4H,2-3H2,1H3,(H,11,12)(H,9,10,13)
InChI Key:
PKZWJIUVIOYIMA-UHFFFAOYSA-N
SMILES:
CCCc1nc(=O)[nH]cc1C(=O)O
Properties
Complexity:
305
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:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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