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25445-42-5 | 1,2-Benzenedicarboxaldehyde, 4,5-dimethyl-
CAS No: 25445-42-5 Catalog No: AG006UUN MDL No:
Product Description
Catalog Number:
AG006UUN
Chemical Name:
1,2-Benzenedicarboxaldehyde, 4,5-dimethyl-
CAS Number:
25445-42-5
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
IUPAC Name:
4,5-dimethylphthalaldehyde
InChI:
InChI=1S/C10H10O2/c1-7-3-9(5-11)10(6-12)4-8(7)2/h3-6H,1-2H3
InChI Key:
RVQPYKLCDGTEPT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)c(cc1C=O)C
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| The disposition and metabolism of durene (1,2,4,5-tetramethylbenzene) in rats. | Archives of toxicology 20010101 |
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