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115580-37-5 | 2H-Pyran-2-one, 3-(2-cyclohexen-1-yl)-4-hydroxy-6-methyl-
CAS No: 115580-37-5 Catalog No: AG000G7J MDL No:
Product Description
Catalog Number:
AG000G7J
Chemical Name:
2H-Pyran-2-one, 3-(2-cyclohexen-1-yl)-4-hydroxy-6-methyl-
CAS Number:
115580-37-5
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
3-cyclohex-2-en-1-yl-4-hydroxy-6-methylpyran-2-one
InChI:
InChI=1S/C12H14O3/c1-8-7-10(13)11(12(14)15-8)9-5-3-2-4-6-9/h3,5,7,9,13H,2,4,6H2,1H3
InChI Key:
AUBATJJQRXQLRC-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c(c(=O)o1)C1CCCC=C1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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