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182692-62-2 | 4-Hepten-3-one, 2,2-dimethyl-7-phenyl-, (4E)-
CAS No: 182692-62-2 Catalog No: AG00242C MDL No:
Product Description
Catalog Number:
AG00242C
Chemical Name:
4-Hepten-3-one, 2,2-dimethyl-7-phenyl-, (4E)-
CAS Number:
182692-62-2
Molecular Formula:
C15H20O
Molecular Weight:
216.3187
IUPAC Name:
2,2-dimethyl-7-phenylhept-4-en-3-one
InChI:
InChI=1S/C15H20O/c1-15(2,3)14(16)12-8-7-11-13-9-5-4-6-10-13/h4-6,8-10,12H,7,11H2,1-3H3
InChI Key:
WAMXUXGLXBEXFI-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)/C=C/CCc1ccccc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.151g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.324g/mol
Monoisotopic Mass:
216.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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