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146446-05-1 | 2H-Pyran-2-one, 3-methyl-6-[(1E)-1-methyl-1-propen-1-yl]-
CAS No: 146446-05-1 Catalog No: AG001E0O MDL No:
Product Description
Catalog Number:
AG001E0O
Chemical Name:
2H-Pyran-2-one, 3-methyl-6-[(1E)-1-methyl-1-propen-1-yl]-
CAS Number:
146446-05-1
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
IUPAC Name:
6-but-2-en-2-yl-3-methylpyran-2-one
InChI:
InChI=1S/C10H12O2/c1-4-7(2)9-6-5-8(3)10(11)12-9/h4-6H,1-3H3
InChI Key:
FEEGMVBAILJAQO-UHFFFAOYSA-N
SMILES:
C/C=C(/c1ccc(c(=O)o1)C)\C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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