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113486-01-4 | 3,5-Heptadien-2-one, 6-phenyl-, (E,E)- (9CI)
CAS No: 113486-01-4 Catalog No: AG0008R9 MDL No:
Product Description
Catalog Number:
AG0008R9
Chemical Name:
3,5-Heptadien-2-one, 6-phenyl-, (E,E)- (9CI)
CAS Number:
113486-01-4
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
IUPAC Name:
6-phenylhepta-3,5-dien-2-one
InChI:
InChI=1S/C13H14O/c1-11(7-6-8-12(2)14)13-9-4-3-5-10-13/h3-10H,1-2H3
InChI Key:
TYTPGLJGQNSHEV-UHFFFAOYSA-N
SMILES:
C/C(=C\C=C\C(=O)C)/c1ccccc1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.104g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.254g/mol
Monoisotopic Mass:
186.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.3
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