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821770-38-1 | 6-Hepten-3-one, 2,4-dimethyl-7-phenyl-, (6E)-
CAS No: 821770-38-1 Catalog No: AG0051G9 MDL No:
Product Description
Catalog Number:
AG0051G9
Chemical Name:
6-Hepten-3-one, 2,4-dimethyl-7-phenyl-, (6E)-
CAS Number:
821770-38-1
Molecular Formula:
C15H20O
Molecular Weight:
216.3187
IUPAC Name:
2,4-dimethyl-7-phenylhept-6-en-3-one
InChI:
InChI=1S/C15H20O/c1-12(2)15(16)13(3)8-7-11-14-9-5-4-6-10-14/h4-7,9-13H,8H2,1-3H3
InChI Key:
UOCSANIZVAUXPH-UHFFFAOYSA-N
SMILES:
CC(C(=O)C(C)C)C/C=C/c1ccccc1
Properties
Complexity:
234
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:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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