54599-50-7
(E)-6,6-DIMETHYL-HEPT-2-EN-4-YNOIC ACID
Name(E)-6,6-DIMETHYL-HEPT-2-EN-4-YNOIC ACID
1Identification
【Name】
(E)-6,6-DIMETHYL-HEPT-2-EN-4-YNOIC ACID
【CAS】
【MDL】
MFCD06660478
【English Synonyms】
【Formula】
C9 H12 O2
【MolWeight】
152.192
【Inchi】
InChI=1S/C9H12O2/c1-9(2,3)7-5-4-6-8(10)11/h4,6H,1-3H3,(H,10,11)/b6-4+
【InChIKey】
InChIKey=LLBLLOJABCZYKK-GQCTYLIASA-N
【SMILES】
CC(C)(C)C#C/C=C/C(=O)O
【MOL File】
(E)-6,6-DIMETHYL-HEP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(E)-6,6-DIMETHYL-HEPT-2-EN-4-YNOIC ACID.cml