15268-07-2 Purity
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Specification
The molecular formula of (3-Nitrobenzoyl)alanine is C10H10N2O5.
(3-Nitrobenzoyl)alanine was created in PubChem on 2005-08-08.
The IUPAC name of (3-Nitrobenzoyl)alanine is 2-amino-4-(3-nitrophenyl)-4-oxobutanoic acid.
The InChIKey of (3-Nitrobenzoyl)alanine is KBJZPNMDKSNLIZ-UHFFFAOYSA-N.
The Canonical SMILES of (3-Nitrobenzoyl)alanine is C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CC(C(=O)O)N.
The molecular weight of (3-Nitrobenzoyl)alanine is 238.20 g/mol.
(3-Nitrobenzoyl)alanine has 2 hydrogen bond donor counts.
The topological polar surface area of (3-Nitrobenzoyl)alanine is 126 Å^2.
Yes, (3-Nitrobenzoyl)alanine is considered as a canonicalized compound.
(3-Nitrobenzoyl)alanine has 1 covalently-bonded unit count.