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10167-11-0 | 2(1H)-Pyrimidinone, 3,4-dihydro-
CAS No: 10167-11-0 Catalog No: AG000555 MDL No:
Product Description
Catalog Number:
AG000555
Chemical Name:
2(1H)-Pyrimidinone, 3,4-dihydro-
CAS Number:
10167-11-0
Molecular Formula:
C4H6N2O
Molecular Weight:
98.1032
IUPAC Name:
3,4-dihydro-1H-pyrimidin-2-one
InChI:
InChI=1S/C4H6N2O/c7-4-5-2-1-3-6-4/h1-2H,3H2,(H2,5,6,7)
InChI Key:
QGKGASXQTBQINX-UHFFFAOYSA-N
SMILES:
O=C1NCC=CN1
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.048g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
98.105g/mol
Monoisotopic Mass:
98.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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