72914-12-6
6-METHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-2-CARBOXYLIC ACID
Name6-METHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-2-CARBOXYLIC ACID
1Identification
【Name】
6-METHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD10696181
【English Synonyms】
【Formula】
C11 H12 O3
【MolWeight】
192.213
【Inchi】
InChI=1S/C11H12O3/c1-7-2-4-9-8(6-7)3-5-10(14-9)11(12)13/h2,4,6,10H,3,5H2,1H3,(H,12,13)
【InChIKey】
InChIKey=PXDGCYQSRSOBOE-UHFFFAOYSA-N
【SMILES】
Cc1ccc2c(c1)CCC(O2)C(=O)O
【MOL File】
6-METHYL-3,4-DIHYDRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
6-METHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-2-CARBOXYLIC ACID.cml