2-Amino-3,4-dimethoxybenzoic Acid - CAS 5701-87-1
Catalog: |
BB075002 |
Product Name: |
2-Amino-3,4-dimethoxybenzoic Acid |
CAS: |
5701-87-1 |
Synonyms: |
2-Amino-3,4-dimethoxybenzoic acid; 3,4-dimethoxyanthranilic acid; 2-Amino-3,4-dimethoxybenzoicacid; 2-Aminoveratrumsaure |
IUPAC Name: | 2-amino-3,4-dimethoxybenzoic acid |
Molecular Weight: | 197.19 |
Molecular Formula: | C9H11NO4 |
Canonical SMILES: | COC1=C(C(=C(C=C1)C(=O)O)N)OC |
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 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.06880783 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 81.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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