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15964-79-1 | Benzeneacetic acid, 3,4-dimethoxy-, methyl ester
CAS No: 15964-79-1 Catalog No: AG001R9M MDL No:MFCD00017206
Product Description
Catalog Number:
AG001R9M
Chemical Name:
Benzeneacetic acid, 3,4-dimethoxy-, methyl ester
CAS Number:
15964-79-1
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
MDL Number:
MFCD00017206
IUPAC Name:
methyl 2-(3,4-dimethoxyphenyl)acetate
InChI:
InChI=1S/C11H14O4/c1-13-9-5-4-8(6-10(9)14-2)7-11(12)15-3/h4-6H,7H2,1-3H3
InChI Key:
DILOFCBIBDMHAY-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(c(c1)OC)OC
EC Number:
240-100-3
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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