Home Other Building Blocks BENZENEACETIC ACID, 3,4-DIMETHYL-, METHYL ESTER

BENZENEACETIC ACID, 3,4-DIMETHYL-, METHYL ESTER

CAS No.:
57486-71-2
Catalog Number:
AG01DWIA
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
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Product Description
Catalog Number:
AG01DWIA
Chemical Name:
BENZENEACETIC ACID, 3,4-DIMETHYL-, METHYL ESTER
CAS Number:
57486-71-2
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD08753506
IUPAC Name:
methyl 2-(3,4-dimethylphenyl)acetate
InChI:
InChI=1S/C11H14O2/c1-8-4-5-10(6-9(8)2)7-11(12)13-3/h4-6H,7H2,1-3H3
InChI Key:
YOOQHVXUOFXSEN-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(c(c1)C)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  
Properties