50604-12-1
4-(1-HYDROXY-1-METHYLETHYL)BENZOIC ACID METHYL ESTER
Name4-(1-HYDROXY-1-METHYLETHYL)BENZOIC ACID METHYL ESTER
1Identification
【Name】
4-(1-HYDROXY-1-METHYLETHYL)BENZOIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD20484016
【English Synonyms】
【Formula】
C11 H14 O3
【MolWeight】
194.229
【Inchi】
InChI=1S/C11H14O3/c1-11(2,13)9-6-4-8(5-7-9)10(12)14-3/h4-7,13H,1-3H3
【InChIKey】
InChIKey=INERTZMRNZLDIB-UHFFFAOYSA-N
【SMILES】
CC(C)(c1ccc(cc1)C(=O)OC)O
【MOL File】
4-(1-HYDROXY-1-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(1-HYDROXY-1-METHYLETHYL)BENZOIC ACID METHYL ESTER.cml