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70353-42-3 | 5-Hexene-1,4-dione, 1-phenyl-
CAS No: 70353-42-3 Catalog No: AG005JVD MDL No:
Product Description
Catalog Number:
AG005JVD
Chemical Name:
5-Hexene-1,4-dione, 1-phenyl-
CAS Number:
70353-42-3
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
1-phenylhex-5-ene-1,4-dione
InChI:
InChI=1S/C12H12O2/c1-2-11(13)8-9-12(14)10-6-4-3-5-7-10/h2-7H,1,8-9H2
InChI Key:
DRGXVJDRRMCIDG-UHFFFAOYSA-N
SMILES:
C=CC(=O)CCC(=O)c1ccccc1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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