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137869-56-8 | 1-Penten-3-one, 1,4-diphenyl-, (1E)-
CAS No: 137869-56-8 Catalog No: AG0013ZM MDL No:
Product Description
Catalog Number:
AG0013ZM
Chemical Name:
1-Penten-3-one, 1,4-diphenyl-, (1E)-
CAS Number:
137869-56-8
Molecular Formula:
C17H16O
Molecular Weight:
236.3083
IUPAC Name:
1,4-diphenylpent-1-en-3-one
InChI:
InChI=1S/C17H16O/c1-14(16-10-6-3-7-11-16)17(18)13-12-15-8-4-2-5-9-15/h2-14H,1H3
InChI Key:
WWVXAEZCLWJKRD-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)C(=O)/C=C/c1ccccc1
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.12g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.314g/mol
Monoisotopic Mass:
236.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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