52773-86-1
BETA-HYDROXY-2-NITROPHENYLALANINE
NameBETA-HYDROXY-2-NITROPHENYLALANINE
1Identification
【Name】
BETA-HYDROXY-2-NITROPHENYLALANINE
【CAS】
【MDL】
MFCD00508200
【English Synonyms】
【Formula】
C9 H10 N2 O5
【MolWeight】
226.187
【Inchi】
InChI=1S/C9H10N2O5/c10-7(9(13)14)8(12)5-3-1-2-4-6(5)11(15)16/h1-4,7-8,12H,10H2,(H,13,14)
【InChIKey】
InChIKey=HICBGALJKFSUJH-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C(C(C(=O)O)N)O)[N+](=O)[O-]
【MOL File】
BETA-HYDROXY-2-NITRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BETA-HYDROXY-2-NITROPHENYLALANINE.cml