phenylalanine, 4-nitro- hydrate

CAS: 207591-86-4

Formula: C9H12N2O5

SMILES: [H]O[H].N[C@@H](CC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O

IUPAC: (2S)-2-amino-3-(4-nitrophenyl)propanoic acid hydrate

InChI: InChI=1S/C9H10N2O4.H2O/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15;/h1-4,8H,5,10H2,(H,12,13);1H2/t8-;/m0./s1

Composition: C (47.37%), H (5.30%), N (12.28%), O (35.05%)

Molar Mass: 228.204

Atom Count: 28

Heavy Atom Count: 16