54396-24-6
6-METHYL-2-OXO-2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, ETHYL ESTER
Name6-METHYL-2-OXO-2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, ETHYL ESTER
1Identification
【Name】
6-METHYL-2-OXO-2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, ETHYL ESTER
【CAS】
【MDL】
MFCD11521593
【English Synonyms】
【Formula】
C13 H12 O4
【MolWeight】
232.234
【Inchi】
InChI=1S/C13H12O4/c1-3-16-12(14)10-7-9-6-8(2)4-5-11(9)17-13(10)15/h4-7H,3H2,1-2H3
【InChIKey】
InChIKey=KSWKCZHIAJEFGQ-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cc2cc(ccc2oc1=O)C
【MOL File】
6-METHYL-2-OXO-2H-1-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
6-METHYL-2-OXO-2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, ETHYL ESTER.cml