872604-00-7
2-(3-CHLOROPHENYL)-2-HYDROXYPENT-4-YNOIC ACID METHYL ESTER
Name2-(3-CHLOROPHENYL)-2-HYDROXYPENT-4-YNOIC ACID METHYL ESTER
1Identification
【Name】
2-(3-CHLOROPHENYL)-2-HYDROXYPENT-4-YNOIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD15832997
【English Synonyms】
【Formula】
C12H11ClO3
【MolWeight】
238.669
【Inchi】
InChI=1S/C12H11ClO3/c1-3-7-12(15,11(14)16-2)9-5-4-6-10(13)8-9/h1,4-6,8,15H,7H2,2H3
【InChIKey】
InChIKey=WPTYEWIADOCYMC-UHFFFAOYSA-N
【SMILES】
COC(C(CC#C)(O)C1=CC(=CC=C1)Cl)=O
【MOL File】
2-(3-CHLOROPHENYL)-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:1.6012
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(3-CHLOROPHENYL)-2-HYDROXYPENT-4-YNOIC ACID METHYL ESTER.cml