59642-21-6
N-(4-NITROBENZOYL)-BETA-ALANINE
Name
N-(4-NITROBENZOYL)-BETA-ALANINE
Formula
C10 H10 N2 O5
MolWeight
238.198
1Identification
【Name】
N-(4-NITROBENZOYL)-BETA-ALANINE
【CAS】
【MDL】
MFCD00009794
【English Synonyms】
【Formula】
C10 H10 N2 O5
【MolWeight】
238.198
【Inchi】
InChI=1S/C10H10N2O5/c13-9(14)5-6-11-10(15)7-1-3-8(4-2-7)12(16)17/h1-4H,5-6H2,(H,11,15)(H,13,14)
【InChIKey】
InChIKey=PDTLZWITKYGYDN-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(=O)NCCC(=O)O)[N+](=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
N-(4-NITROBENZOYL)-BETA-ALANINE.cml
Quick Release
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