3-Amino-4-(carboxymethyl)benzoic Acid - CAS 1373232-85-9
Catalog: |
BB075040 |
Product Name: |
3-Amino-4-(carboxymethyl)benzoic Acid |
CAS: |
1373232-85-9 |
Synonyms: |
3-amino-4-(carboxymethyl)benzoic acid; 3-amino-4-(carboxymethyl)benzoicacid; Benzeneacetic acid, 2-amino-4-carboxy- |
IUPAC Name: | 3-amino-4-(carboxymethyl)benzoic acid |
Description: | 3-Amino-4-(carboxymethyl)benzoic acid is a useful research chemical compound. |
Molecular Weight: | 195.17 |
Molecular Formula: | C9H9NO4 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)N)CC(=O)O |
InChI: | InChI=1S/C9H9NO4/c10-7-3-6(9(13)14)2-1-5(7)4-8(11)12/h1-3H,4,10H2,(H,11,12)(H,13,14) |
InChI Key: | AWEAADJNCLTMMV-UHFFFAOYSA-N |
Melting Point: | >155°C (dec.) |
Solubility: | DMSO (Sparingly), Methanol (Slightly) |
Appearance: | Off-White to Pale Beige Solid |
Storage: | -20°C, Inert atmosphere |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.05315777 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 101Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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