191282-49-2
CIS-TETRAHYDRO-3-METHYLENE-2-OXO-5-N-OCTYL-4-FURANCARBOXYLIC ACID
NameCIS-TETRAHYDRO-3-METHYLENE-2-OXO-5-N-OCTYL-4-FURANCARBOXYLIC ACID
1Identification
【Name】
CIS-TETRAHYDRO-3-METHYLENE-2-OXO-5-N-OCTYL-4-FURANCARBOXYLIC ACID
【CAS】
【MDL】
MFCD03265453
【English Synonyms】
【Formula】
C14 H22 O4
【MolWeight】
254.324
【Inchi】
InChI=1S/C14H22O4/c1-3-4-5-6-7-8-9-11-12(13(15)16)10(2)14(17)18-11/h11-12H,2-9H2,1H3,(H,15,16)/t11-,12-/m1/s1
【InChIKey】
InChIKey=VCWLZDVWHQVAJU-VXGBXAGGSA-N
【SMILES】
CCCCCCCC[C@@H]1[C@@H](C(=C)C(=O)O1)C(=O)O
【MOL File】
CIS-TETRAHYDRO-3-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CIS-TETRAHYDRO-3-METHYLENE-2-OXO-5-N-OCTYL-4-FURANCARBOXYLIC ACID.cml