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848092-84-2 | Benzoic acid, 2-amino-4-hydroxy-5-methoxy-, methyl ester
CAS No: 848092-84-2 Catalog No: AG004QXJ MDL No:
Product Description
Catalog Number:
AG004QXJ
Chemical Name:
Benzoic acid, 2-amino-4-hydroxy-5-methoxy-, methyl ester
CAS Number:
848092-84-2
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
IUPAC Name:
methyl 2-amino-4-hydroxy-5-methoxybenzoate
InChI:
InChI=1S/C9H11NO4/c1-13-8-3-5(9(12)14-2)6(10)4-7(8)11/h3-4,11H,10H2,1-2H3
InChI Key:
KVKBPICSIFDGGR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OC)c(cc1N)O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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