590419-88-8
4H-PYRAN-4-ONE, 2-(4-ETHYLPHENYL)TETRAHYDRO-, (2R)-
Name4H-PYRAN-4-ONE, 2-(4-ETHYLPHENYL)TETRAHYDRO-, (2R)-
1Identification
【Name】
4H-PYRAN-4-ONE, 2-(4-ETHYLPHENYL)TETRAHYDRO-, (2R)-
【CAS】
【MDL】
MFCD18832047
【English Synonyms】
【Formula】
C13 H16 O2
【MolWeight】
204.267
【Inchi】
InChI=1S/C13H16O2/c1-2-10-3-5-11(6-4-10)13-9-12(14)7-8-15-13/h3-6,13H,2,7-9H2,1H3/t13-/m1/s1
【InChIKey】
InChIKey=OGXDEGNHWAIMKY-CYBMUJFWSA-N
【SMILES】
CCc1ccc(cc1)[C@H]2CC(=O)CCO2
【MOL File】
4H-PYRAN-4-ONE, 2-(4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4H-PYRAN-4-ONE, 2-(4-ETHYLPHENYL)TETRAHYDRO-, (2R)-.cml