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89722-18-9 | Benzeneacetic acid,2,4-dimethyl-, methyl ester
CAS No: 89722-18-9 Catalog No: AG00420R MDL No:
Product Description
Catalog Number:
AG00420R
Chemical Name:
Benzeneacetic acid,2,4-dimethyl-, methyl ester
CAS Number:
89722-18-9
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
methyl 2-(2,4-dimethylphenyl)acetate
InChI:
InChI=1S/C11H14O2/c1-8-4-5-10(9(2)6-8)7-11(12)13-3/h4-6H,7H2,1-3H3
InChI Key:
BZQIERSCQVNLJA-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(cc1C)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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