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70752-22-6 | Benzoic acid, 5-amino-2,4-dimethoxy-, methyl ester
CAS No: 70752-22-6 Catalog No: AG005GNB MDL No:
Product Description
Catalog Number:
AG005GNB
Chemical Name:
Benzoic acid, 5-amino-2,4-dimethoxy-, methyl ester
CAS Number:
70752-22-6
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
IUPAC Name:
methyl 5-amino-2,4-dimethoxybenzoate
InChI:
InChI=1S/C10H13NO4/c1-13-8-5-9(14-2)7(11)4-6(8)10(12)15-3/h4-5H,11H2,1-3H3
InChI Key:
RYVYYLPISGDRFX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(N)c(cc1OC)OC
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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