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23617-71-2 | Benzoic acid, 2,4-dimethyl-, methyl ester
CAS No: 23617-71-2 Catalog No: AG002NWT MDL No:MFCD06203654
Product Description
Catalog Number:
AG002NWT
Chemical Name:
Benzoic acid, 2,4-dimethyl-, methyl ester
CAS Number:
23617-71-2
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD06203654
IUPAC Name:
methyl 2,4-dimethylbenzoate
InChI:
InChI=1S/C10H12O2/c1-7-4-5-9(8(2)6-7)10(11)12-3/h4-6H,1-3H3
InChI Key:
QQCLNRPRQRDMCK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1C)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Factors affecting the selectivity of the oxidation of methyl p-toluate by cobalt(III). | Inorganic chemistry 20080317 |
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