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1010-90-8 | 2,4(1H,3H)-Pyrimidinedione, 3-butyl-6-methyl-
CAS No: 1010-90-8 Catalog No: AG0003HI MDL No:
Product Description
Catalog Number:
AG0003HI
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 3-butyl-6-methyl-
CAS Number:
1010-90-8
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
IUPAC Name:
3-butyl-6-methyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C9H14N2O2/c1-3-4-5-11-8(12)6-7(2)10-9(11)13/h6H,3-5H2,1-2H3,(H,10,13)
InChI Key:
QRGVGZWQHXGOFJ-UHFFFAOYSA-N
SMILES:
CCCCn1c(=O)cc([nH]c1=O)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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