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88208-68-8 | Benzoic acid, 2,5-dimethoxy-3-methyl-, methyl ester
CAS No: 88208-68-8 Catalog No: AG004C1I MDL No:
Product Description
Catalog Number:
AG004C1I
Chemical Name:
Benzoic acid, 2,5-dimethoxy-3-methyl-, methyl ester
CAS Number:
88208-68-8
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
IUPAC Name:
methyl 2,5-dimethoxy-3-methylbenzoate
InChI:
InChI=1S/C11H14O4/c1-7-5-8(13-2)6-9(10(7)14-3)11(12)15-4/h5-6H,1-4H3
InChI Key:
FTEQRUKEMORLNE-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(c(c1)C(=O)OC)OC
Properties
Complexity:
217
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:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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