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10167-09-6 | 4(1H)-Pyrimidinone, tetrahydro-
CAS No: 10167-09-6 Catalog No: AG000556 MDL No:
Product Description
Catalog Number:
AG000556
Chemical Name:
4(1H)-Pyrimidinone, tetrahydro-
CAS Number:
10167-09-6
Molecular Formula:
C4H8N2O
Molecular Weight:
100.1191
IUPAC Name:
1,3-diazinan-4-one
InChI:
InChI=1S/C4H8N2O/c7-4-1-2-5-3-6-4/h5H,1-3H2,(H,6,7)
InChI Key:
HABIAKDIZVCTLU-UHFFFAOYSA-N
SMILES:
O=C1CCNCN1
Properties
Complexity:
81.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.064g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
100.121g/mol
Monoisotopic Mass:
100.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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