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114066-90-9 | 2,4(1H,3H)-Pyrimidinedione, 6-methyl-1-(2-propen-1-yl)-
CAS No: 114066-90-9 Catalog No: AG000AG0 MDL No:MFCD20727939
Product Description
Catalog Number:
AG000AG0
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-methyl-1-(2-propen-1-yl)-
CAS Number:
114066-90-9
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD20727939
IUPAC Name:
6-methyl-1-prop-2-enylpyrimidine-2,4-dione
InChI:
InChI=1S/C8H10N2O2/c1-3-4-10-6(2)5-7(11)9-8(10)12/h3,5H,1,4H2,2H3,(H,9,11,12)
InChI Key:
GYXFJRBGWKHEEH-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)[nH]c(=O)n1CC=C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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