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3637-01-2 | 3',4'-Dimethylacetophenone
CAS No: 3637-01-2 Catalog No: AG0033IQ MDL No:MFCD00008743
Product Description
Catalog Number:
AG0033IQ
Chemical Name:
3',4'-Dimethylacetophenone
CAS Number:
3637-01-2
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
MDL Number:
MFCD00008743
IUPAC Name:
1-(3,4-dimethylphenyl)ethanone
InChI:
InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3
InChI Key:
WPRAXAOJIODQJR-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1)C)C
EC Number:
222-859-2
UNII:
PC1L145T5V
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.205g/mol
Monoisotopic Mass:
148.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Discovery of tetrahydrotetramethylnaphthalene analogs as adult T-cell leukemia cell-selective proliferation inhibitors in a small chemical library constructed based on multi-template hypothesis. | Bioorganic & medicinal chemistry 20090701 |
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