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15753-84-1 | 3-Buten-2-one, 4-(3-methylphenyl)-
CAS No: 15753-84-1 Catalog No: AG001PIU MDL No:
Product Description
Catalog Number:
AG001PIU
Chemical Name:
3-Buten-2-one, 4-(3-methylphenyl)-
CAS Number:
15753-84-1
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
IUPAC Name:
4-(3-methylphenyl)but-3-en-2-one
InChI:
InChI=1S/C11H12O/c1-9-4-3-5-11(8-9)7-6-10(2)12/h3-8H,1-2H3
InChI Key:
MMKNUEPXVVBSGX-UHFFFAOYSA-N
SMILES:
CC(=O)C=Cc1cccc(c1)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.216g/mol
Monoisotopic Mass:
160.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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