5923-10-4
4-METHYL-1-PHENYL-1-PENTYN-3-ONE
Name4-METHYL-1-PHENYL-1-PENTYN-3-ONE
1Identification
【Name】
4-METHYL-1-PHENYL-1-PENTYN-3-ONE
【CAS】
【MDL】
MFCD08055870
【English Synonyms】
【Formula】
C12 H12 O
【MolWeight】
172.226
【Inchi】
InChI=1S/C12H12O/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h3-7,10H,1-2H3
【InChIKey】
InChIKey=AOOHPXMHKBITKB-UHFFFAOYSA-N
【SMILES】
CC(C)C(=O)C#Cc1ccccc1
【MOL File】
4-METHYL-1-PHENYL-1-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-1-PHENYL-1-PENTYN-3-ONE.cml