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139085-16-8 | 2-Hepten-4-one, 6-(3-hydroxy-4-methylphenyl)-2-methyl-
CAS No: 139085-16-8 Catalog No: AG001A7G MDL No:
Product Description
Catalog Number:
AG001A7G
Chemical Name:
2-Hepten-4-one, 6-(3-hydroxy-4-methylphenyl)-2-methyl-
CAS Number:
139085-16-8
Molecular Formula:
C15H20O2
Molecular Weight:
232.3181
IUPAC Name:
6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one
InChI:
InChI=1S/C15H20O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5-7,9,12,17H,8H2,1-4H3
InChI Key:
OSIFVLKZUWRNBN-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)CC(c1ccc(c(c1)O)C)C)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.146g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.323g/mol
Monoisotopic Mass:
232.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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