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13163-77-4 | 6-Heptene-1,3-dione, 1-phenyl-
CAS No: 13163-77-4 Catalog No: AG000ZJS MDL No:
Product Description
Catalog Number:
AG000ZJS
Chemical Name:
6-Heptene-1,3-dione, 1-phenyl-
CAS Number:
13163-77-4
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
IUPAC Name:
1-phenylhept-6-ene-1,3-dione
InChI:
InChI=1S/C13H14O2/c1-2-3-9-12(14)10-13(15)11-7-5-4-6-8-11/h2,4-8H,1,3,9-10H2
InChI Key:
OUQQBAAWGXXTIH-UHFFFAOYSA-N
SMILES:
C=CCCC(=O)CC(=O)c1ccccc1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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