95-26-1 Purity
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Specification
The molecular formula of Chembrdg-bb 4024704 is C10H11NO3.
Some synonyms for Chembrdg-bb 4024704 include 3-[(4-methylphenyl)amino]-3-oxopropanoic acid and 3-(4-methylanilino)-3-oxopropanoic acid.
Chembrdg-bb 4024704 was created on 2005-07-14 and last modified on 2023-12-30.
The molecular weight of Chembrdg-bb 4024704 is 193.20 g/mol.
The IUPAC name of Chembrdg-bb 4024704 is 3-(4-methylanilino)-3-oxopropanoic acid.
The InChI of Chembrdg-bb 4024704 is InChI=1S/C10H11NO3/c1-7-2-4-8(5-3-7)11-9(12)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14).
The InChIKey of Chembrdg-bb 4024704 is BMKFYQZTVRBBDO-UHFFFAOYSA-N.
The canonical SMILES notation for Chembrdg-bb 4024704 is CC1=CC=C(C=C1)NC(=O)CC(=O)O.
Chembrdg-bb 4024704 has 2 hydrogen bond donor counts.
Yes, Chembrdg-bb 4024704 is a canonicalized compound.