Home Other Building Blocks 2-Amino-3,4-dimethoxybenzoic acid

2-Amino-3,4-dimethoxybenzoic acid

CAS No.:
5701-87-1
Catalog Number:
AG00EKUE
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
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Product Description
Catalog Number:
AG00EKUE
Chemical Name:
2-Amino-3,4-dimethoxybenzoic acid
CAS Number:
5701-87-1
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
MDL Number:
MFCD00038792
IUPAC Name:
2-amino-3,4-dimethoxybenzoic acid
InChI:
InChI=1S/C9H11NO4/c1-13-6-4-3-5(9(11)12)7(10)8(6)14-2/h3-4H,10H2,1-2H3,(H,11,12)
InChI Key:
MCVCQDNCAFEFCF-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc(c1N)C(=O)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  
Properties