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2048-07-9 | 1,2-Ethanedione, 1,2-bis(2-methylphenyl)-
CAS No: 2048-07-9 Catalog No: AG0029PU MDL No:
Product Description
Catalog Number:
AG0029PU
Chemical Name:
1,2-Ethanedione, 1,2-bis(2-methylphenyl)-
CAS Number:
2048-07-9
Molecular Formula:
C16H14O2
Molecular Weight:
238.2812
IUPAC Name:
1,2-bis(2-methylphenyl)ethane-1,2-dione
InChI:
InChI=1S/C16H14O2/c1-11-7-3-5-9-13(11)15(17)16(18)14-10-6-4-8-12(14)2/h3-10H,1-2H3
InChI Key:
QGVJJXJRGYQAST-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C(=O)C(=O)c1ccccc1C
NSC Number:
116294
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.286g/mol
Monoisotopic Mass:
238.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Laser flash photolysis study of the photochemistry of o-methylbenzils. | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20020301 |
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