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88681-87-2 | 1,7-Octadien-4-one, 6-phenyl-
CAS No: 88681-87-2 Catalog No: AG00479B MDL No:
Product Description
Catalog Number:
AG00479B
Chemical Name:
1,7-Octadien-4-one, 6-phenyl-
CAS Number:
88681-87-2
Molecular Formula:
C14H16O
Molecular Weight:
200.2762
IUPAC Name:
6-phenylocta-1,7-dien-4-one
InChI:
InChI=1S/C14H16O/c1-3-8-14(15)11-12(4-2)13-9-6-5-7-10-13/h3-7,9-10,12H,1-2,8,11H2
InChI Key:
MTJYGGGHQPURAO-UHFFFAOYSA-N
SMILES:
C=CC(c1ccccc1)CC(=O)CC=C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.12g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.281g/mol
Monoisotopic Mass:
200.12g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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