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-

Technical Data

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:	101Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2