63113-00-8
3-HYDROXY-5-METHYL-1(3H)-ISOBENZOFURANONE
Name3-HYDROXY-5-METHYL-1(3H)-ISOBENZOFURANONE
1Identification
【Name】
3-HYDROXY-5-METHYL-1(3H)-ISOBENZOFURANONE
【CAS】
【MDL】
MFCD15146104
【English Synonyms】
【Formula】
C9 H8 O3
【MolWeight】
164.159
【Inchi】
InChI=1S/C9H8O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2-4,9,11H,1H3
【InChIKey】
InChIKey=AFZXLLRTYQQFRL-UHFFFAOYSA-N
【SMILES】
Cc1ccc2c(c1)C(OC2=O)O
【MOL File】
3-HYDROXY-5-METHYL-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-HYDROXY-5-METHYL-1(3H)-ISOBENZOFURANONE.cml