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2040-21-3 | 1-Propanone, 2-methyl-1-(2-methylphenyl)-
CAS No: 2040-21-3 Catalog No: AG00299G MDL No:MFCD12153366
Product Description
Catalog Number:
AG00299G
Chemical Name:
1-Propanone, 2-methyl-1-(2-methylphenyl)-
CAS Number:
2040-21-3
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD12153366
IUPAC Name:
2-methyl-1-(2-methylphenyl)propan-1-one
InChI:
InChI=1S/C11H14O/c1-8(2)11(12)10-7-5-4-6-9(10)3/h4-8H,1-3H3
InChI Key:
LFKYTOWXZQDFKX-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1ccccc1C)C
Properties
Complexity:
160
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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