78507-90-1
2H-1-BENZOPYRAN-6-CARBOXYLIC ACID, 3,4-DIHYDRO-2,2-DIMETHYL-4-OXO-, METHYL ESTER
Name2H-1-BENZOPYRAN-6-CARBOXYLIC ACID, 3,4-DIHYDRO-2,2-DIMETHYL-4-OXO-, METHYL ESTER
1Identification
【Name】
2H-1-BENZOPYRAN-6-CARBOXYLIC ACID, 3,4-DIHYDRO-2,2-DIMETHYL-4-OXO-, METHYL ESTER
【CAS】
【MDL】
MFCD17215742
【English Synonyms】
【Formula】
C13 H14 O4
【MolWeight】
234.25
【Inchi】
InChI=1S/C13H14O4/c1-13(2)7-10(14)9-6-8(12(15)16-3)4-5-11(9)17-13/h4-6H,7H2,1-3H3
【InChIKey】
InChIKey=PWXLOONQXYGPGC-UHFFFAOYSA-N
【SMILES】
CC1(CC(=O)c2cc(ccc2O1)C(=O)OC)C
【MOL File】
2H-1-BENZOPYRAN-6-CA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2H-1-BENZOPYRAN-6-CARBOXYLIC ACID, 3,4-DIHYDRO-2,2-DIMETHYL-4-OXO-, METHYL ESTER.cml