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115665-94-6 | 3-Buten-2-one, 4-(4-acetylphenyl)-, (3E)-
CAS No: 115665-94-6 Catalog No: AG000GPJ MDL No:
Product Description
Catalog Number:
AG000GPJ
Chemical Name:
3-Buten-2-one, 4-(4-acetylphenyl)-, (3E)-
CAS Number:
115665-94-6
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
4-(4-acetylphenyl)but-3-en-2-one
InChI:
InChI=1S/C12H12O2/c1-9(13)3-4-11-5-7-12(8-6-11)10(2)14/h3-8H,1-2H3
InChI Key:
XCFFGUOWJMOOEM-UHFFFAOYSA-N
SMILES:
CC(=O)/C=C/c1ccc(cc1)C(=O)C
Properties
Complexity:
245
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:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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