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88064-10-2 | 2-Hepten-1-one, 1-(4-methylphenyl)-
CAS No: 88064-10-2 Catalog No: AG004I44 MDL No:
Product Description
Catalog Number:
AG004I44
Chemical Name:
2-Hepten-1-one, 1-(4-methylphenyl)-
CAS Number:
88064-10-2
Molecular Formula:
C14H18O
Molecular Weight:
202.2921
IUPAC Name:
1-(4-methylphenyl)hept-2-en-1-one
InChI:
InChI=1S/C14H18O/c1-3-4-5-6-7-14(15)13-10-8-12(2)9-11-13/h6-11H,3-5H2,1-2H3
InChI Key:
VEBPVRPGMFJUEF-UHFFFAOYSA-N
SMILES:
CCCCC=CC(=O)c1ccc(cc1)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.297g/mol
Monoisotopic Mass:
202.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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