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69790-21-2 | 4-Hepten-3-one, 7-phenyl-, (4E)-
CAS No: 69790-21-2 Catalog No: AG005HZW MDL No:
Product Description
Catalog Number:
AG005HZW
Chemical Name:
4-Hepten-3-one, 7-phenyl-, (4E)-
CAS Number:
69790-21-2
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
7-phenylhept-4-en-3-one
InChI:
InChI=1S/C13H16O/c1-2-13(14)11-7-6-10-12-8-4-3-5-9-12/h3-5,7-9,11H,2,6,10H2,1H3
InChI Key:
ODCSFCQFCURYEG-UHFFFAOYSA-N
SMILES:
CCC(=O)/C=C/CCc1ccccc1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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