834885-92-6
CYCLOPENTANECARBOXYLIC ACID, 2-CYANO-2-HYDROXY-, PROPYL ESTER, (1R,2R)-REL-
NameCYCLOPENTANECARBOXYLIC ACID, 2-CYANO-2-HYDROXY-, PROPYL ESTER, (1R,2R)-REL-
1Identification
【Name】
CYCLOPENTANECARBOXYLIC ACID, 2-CYANO-2-HYDROXY-, PROPYL ESTER, (1R,2R)-REL-
【CAS】
【MDL】
MFCD17017827
【English Synonyms】
【Formula】
C10H15NO3
【MolWeight】
197.232
【Inchi】
InChI=1S/C10H15NO3/c1-2-6-14-9(12)8-4-3-5-10(8,13)7-11/h8,13H,2-6H2,1H3/t8-,10-/m0/s1
【InChIKey】
InChIKey=REXSPVBUKGTQIS-WPRPVWTQSA-N
【SMILES】
CCCOC(=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
XLogP3:1.2846
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CYCLOPENTANECARBOXYLIC ACID, 2-CYANO-2-HYDROXY-, PROPYL ESTER, (1R,2R)-REL-.cml