Home Other Building Blocks 2-Butanone, 3-methyl-1-phenyl-

2-Butanone, 3-methyl-1-phenyl-

CAS No.:
2893-05-2
Catalog Number:
AG002X42
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
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Product Description
Catalog Number:
AG002X42
Chemical Name:
2-Butanone, 3-methyl-1-phenyl-
CAS Number:
2893-05-2
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD00040487
IUPAC Name:
3-methyl-1-phenylbutan-2-one
InChI:
InChI=1S/C11H14O/c1-9(2)11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI Key:
ZATIMOAGKJEVGN-UHFFFAOYSA-N
SMILES:
CC(C(=O)Cc1ccccc1)C
EC Number:
220-765-6
UNII:
81804S3MKM
NSC Number:
406926
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties