834885-87-9
CYCLOPENTANECARBOXYLIC ACID, 2-CYANO-2-HYDROXY-, 1-METHYLETHYL ESTER, (1R,2S)-REL-
NameCYCLOPENTANECARBOXYLIC ACID, 2-CYANO-2-HYDROXY-, 1-METHYLETHYL ESTER, (1R,2S)-REL-
1Identification
【Name】
CYCLOPENTANECARBOXYLIC ACID, 2-CYANO-2-HYDROXY-, 1-METHYLETHYL ESTER, (1R,2S)-REL-
【CAS】
【MDL】
MFCD17017826
【English Synonyms】
【Formula】
C10H15NO3
【MolWeight】
197.232
【Inchi】
InChI=1S/C10H15NO3/c1-7(2)14-9(12)8-4-3-5-10(8,13)6-11/h7-8,13H,3-5H2,1-2H3/t8-,10+/m0/s1
【InChIKey】
InChIKey=JYFXGINUTXMEOP-WCBMZHEXSA-N
【SMILES】
CC(C)OC(=O)[C@@H]1CCC[C@@]1(O)C#N
【MOL File】
CYCLOPENTANECARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.2111
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CYCLOPENTANECARBOXYLIC ACID, 2-CYANO-2-HYDROXY-, 1-METHYLETHYL ESTER, (1R,2S)-REL-.cml