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1467-36-3 | Ethanone, 1-(2,3,4-trimethylphenyl)-
CAS No: 1467-36-3 Catalog No: AG001E9F MDL No:
Product Description
Catalog Number:
AG001E9F
Chemical Name:
Ethanone, 1-(2,3,4-trimethylphenyl)-
CAS Number:
1467-36-3
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
IUPAC Name:
1-(2,3,4-trimethylphenyl)ethanone
InChI:
InChI=1S/C11H14O/c1-7-5-6-11(10(4)12)9(3)8(7)2/h5-6H,1-4H3
InChI Key:
RVPPPQUJELLLDP-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1C)C)C
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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