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100585-54-4 | Ethanone, 1-[2-(2-methylpropyl)phenyl]-
CAS No: 100585-54-4 Catalog No: AG0002ES MDL No:
Product Description
Catalog Number:
AG0002ES
Chemical Name:
Ethanone, 1-[2-(2-methylpropyl)phenyl]-
CAS Number:
100585-54-4
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
1-[2-(2-methylpropyl)phenyl]ethanone
InChI:
InChI=1S/C12H16O/c1-9(2)8-11-6-4-5-7-12(11)10(3)13/h4-7,9H,8H2,1-3H3
InChI Key:
AHTQDKXVLKVZTP-UHFFFAOYSA-N
SMILES:
CC(Cc1ccccc1C(=O)C)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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