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2040-07-5 | Ethanone, 1-(2,4,5-trimethylphenyl)-
CAS No: 2040-07-5 Catalog No: AG00298I MDL No:MFCD00017244
Product Description
Catalog Number:
AG00298I
Chemical Name:
Ethanone, 1-(2,4,5-trimethylphenyl)-
CAS Number:
2040-07-5
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD00017244
IUPAC Name:
1-(2,4,5-trimethylphenyl)ethanone
InChI:
InChI=1S/C11H14O/c1-7-5-9(3)11(10(4)12)6-8(7)2/h5-6H,1-4H3
InChI Key:
GENBEGZNCBFHSU-UHFFFAOYSA-N
SMILES:
Cc1cc(C(=O)C)c(cc1C)C
EC Number:
218-036-2
NSC Number:
833
Properties
Complexity:
174
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:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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