802911-96-2
BICYCLO[2.2.1]HEPTAN-2-ONE, 5-(2-HYDROXYETHYL)-, (1S,4R,5R)-
NameBICYCLO[2.2.1]HEPTAN-2-ONE, 5-(2-HYDROXYETHYL)-, (1S,4R,5R)-
1Identification
【Name】
BICYCLO[2.2.1]HEPTAN-2-ONE, 5-(2-HYDROXYETHYL)-, (1S,4R,5R)-
【CAS】
【MDL】
MFCD18836215
【English Synonyms】
【Formula】
C9 H14 O2
【MolWeight】
154.208
【Inchi】
InChI=1S/C9H14O2/c10-2-1-6-3-8-4-7(6)5-9(8)11/h6-8,10H,1-5H2/t6-,7+,8-/m0/s1
【InChIKey】
InChIKey=UMJNUXGZOCCJBR-RNJXMRFFSA-N
【SMILES】
C1[C@@H]2C[C@@H]([C@H]1CC2=O)CCO
【MOL File】
BICYCLO[2.2.1]HEPTAN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BICYCLO[2.2.1]HEPTAN-2-ONE, 5-(2-HYDROXYETHYL)-, (1S,4R,5R)-.cml