2-Amino-3-(methylamino)benzoic Acid - CAS 1369770-53-5
Catalog: |
BB074331 |
Product Name: |
2-Amino-3-(methylamino)benzoic Acid |
CAS: |
1369770-53-5 |
Synonyms: |
2-amino-3-(methylamino)benzoic acid |
IUPAC Name: | 2-amino-3-(methylamino)benzoic acid |
Molecular Weight: | 166.18 |
Molecular Formula: | C8H10N2O2 |
Canonical SMILES: | CNC1=CC=CC(=C1N)C(=O)O |
InChI: | InChI=1S/C8H10N2O2/c1-10-6-4-2-3-5(7(6)9)8(11)12/h2-4,10H,9H2,1H3,(H,11,12) |
InChI Key: | RAOTWJJAHXTGBP-UHFFFAOYSA-N |
Appearance: | Dark Red Solid |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 75.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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