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14779-44-3 | Benzoic acid, 4-ethoxy-3,5-dimethoxy-
CAS No: 14779-44-3 Catalog No: AG001F7H MDL No:
Product Description
Catalog Number:
AG001F7H
Chemical Name:
Benzoic acid, 4-ethoxy-3,5-dimethoxy-
CAS Number:
14779-44-3
Molecular Formula:
C11H14O5
Molecular Weight:
226.2259
IUPAC Name:
4-ethoxy-3,5-dimethoxybenzoic acid
InChI:
InChI=1S/C11H14O5/c1-4-16-10-8(14-2)5-7(11(12)13)6-9(10)15-3/h5-6H,4H2,1-3H3,(H,12,13)
InChI Key:
IJMJUSXUKHSNJO-UHFFFAOYSA-N
SMILES:
CCOc1c(OC)cc(cc1OC)C(=O)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.228g/mol
Monoisotopic Mass:
226.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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