640750-12-5
CYCLOPROPANECARBOXYLIC ACID, 1-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-2-ETHENYL-, (4-NITROPHENYL)METHYL ESTER, (1R,2R)-REL-
NameCYCLOPROPANECARBOXYLIC ACID, 1-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-2-ETHENYL-, (4-NITROPHENYL)METHYL ESTER, (1R,2R)-REL-
1Identification
【Name】
CYCLOPROPANECARBOXYLIC ACID, 1-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-2-ETHENYL-, (4-NITROPHENYL)METHYL ESTER, (1R,2R)-REL-
【CAS】
【MDL】
MFCD12911790
【English Synonyms】
【Formula】
C18 H22 N2 O6
【MolWeight】
362.38
【Inchi】
InChI=1S/C18H22N2O6/c1-5-13-10-18(13,19-16(22)26-17(2,3)4)15(21)25-11-12-6-8-14(9-7-12)20(23)24/h5-9,13H,1,10-11H2,2-4H3,(H,19,22)/t13-,18+/m0/s1
【InChIKey】
InChIKey=ZJCGHOCHZHTMCI-SCLBCKFNSA-N
【SMILES】
CC(C)(C)OC(=O)N[C@@]1(C[C@@H]1C=C)C(=O)OCc2ccc(cc2)[N+](=O)[O-]
【MOL File】
CYCLOPROPANECARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CYCLOPROPANECARBOXYLIC ACID, 1-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-2-ETHENYL-, (4-NITROPHENYL)METHYL ESTER, (1R,2R)-REL-.cml