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1901-26-4 | 3-Buten-2-one, 3-methyl-4-phenyl-
CAS No: 1901-26-4 Catalog No: AG002ECE MDL No:MFCD00136082
Product Description
Catalog Number:
AG002ECE
Chemical Name:
3-Buten-2-one, 3-methyl-4-phenyl-
CAS Number:
1901-26-4
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
MDL Number:
MFCD00136082
IUPAC Name:
(E)-3-methyl-4-phenylbut-3-en-2-one
InChI:
InChI=1S/C11H12O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8+
InChI Key:
BQJFBHBDOAIIGS-CMDGGOBGSA-N
SMILES:
CC(=Cc1ccccc1)C(=O)C
EC Number:
217-599-1
UNII:
Z4887E8C9X
NSC Number:
167115
FEMA Number:
2734
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
2.1
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