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100060-89-7 | 2(1H)-Pyrimidinone, 5-acetyl-4-(2-furanyl)-3,4-dihydro-6-methyl-
CAS No: 100060-89-7 Catalog No: AG0000SB MDL No:MFCD00453958
Product Description
Catalog Number:
AG0000SB
Chemical Name:
2(1H)-Pyrimidinone, 5-acetyl-4-(2-furanyl)-3,4-dihydro-6-methyl-
CAS Number:
100060-89-7
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD00453958
IUPAC Name:
5-acetyl-4-(furan-2-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
InChI:
InChI=1S/C11H12N2O3/c1-6-9(7(2)14)10(13-11(15)12-6)8-4-3-5-16-8/h3-5,10H,1-2H3,(H2,12,13,15)
InChI Key:
YZVTZMKFPYZHSA-UHFFFAOYSA-N
SMILES:
O=C1NC(=C(C(N1)c1ccco1)C(=O)C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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