53713-33-0
3,4-DIHYDRO-6-HYDROXY-2,7,8-TRIMETHYL-2H-1-BENZOPYRAN-2-CARBOXYLIC ACID METHYL ESTER
Name3,4-DIHYDRO-6-HYDROXY-2,7,8-TRIMETHYL-2H-1-BENZOPYRAN-2-CARBOXYLIC ACID METHYL ESTER
1Identification
【Name】
3,4-DIHYDRO-6-HYDROXY-2,7,8-TRIMETHYL-2H-1-BENZOPYRAN-2-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD21340262
【English Synonyms】
【Formula】
C14 H18 O4
【MolWeight】
250.292
【Inchi】
InChI=1S/C14H18O4/c1-8-9(2)12-10(7-11(8)15)5-6-14(3,18-12)13(16)17-4/h7,15H,5-6H2,1-4H3
【InChIKey】
InChIKey=KXLULCVNKAENJV-UHFFFAOYSA-N
【SMILES】
Cc1c(c2c(cc1O)CCC(O2)(C)C(=O)OC)C
【MOL File】
3,4-DIHYDRO-6-HYDROX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,4-DIHYDRO-6-HYDROXY-2,7,8-TRIMETHYL-2H-1-BENZOPYRAN-2-CARBOXYLIC ACID METHYL ESTER.cml