77449-43-5
6-(1-HYDROXYETHYL)-3,7-DIOXO-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID (4-NITROPHENYL)METHYL ESTER
Name6-(1-HYDROXYETHYL)-3,7-DIOXO-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID (4-NITROPHENYL)METHYL ESTER
1Identification
【Name】
6-(1-HYDROXYETHYL)-3,7-DIOXO-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID (4-NITROPHENYL)METHYL ESTER
【CAS】
【MDL】
MFCD13185915
【English Synonyms】
【Formula】
C16 H16 N2 O7
【MolWeight】
348.309
【Inchi】
InChI=1S/C16H16N2O7/c1-8(19)13-11-6-12(20)14(17(11)15(13)21)16(22)25-7-9-2-4-10(5-3-9)18(23)24/h2-5,8,11,13-14,19H,6-7H2,1H3
【InChIKey】
InChIKey=YBIDYTOJOXKBLO-UHFFFAOYSA-N
【SMILES】
CC(C1C2CC(=O)C(N2C1=O)C(=O)OCc3ccc(cc3)[N+](=O)[O-])O
【MOL File】
6-(1-HYDROXYETHYL)-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-(1-HYDROXYETHYL)-3,7-DIOXO-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID (4-NITROPHENYL)METHYL ESTER.cml