207850-04-2
5-METHYL-2-PHENYL-[1,3]DIOXANE-5-CARBOXYLIC ACID
Name5-METHYL-2-PHENYL-[1,3]DIOXANE-5-CARBOXYLIC ACID
1Identification
【Name】
5-METHYL-2-PHENYL-[1,3]DIOXANE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD02933433
【English Synonyms】
【Formula】
C12 H14 O4
【MolWeight】
222.239
【Inchi】
InChI=1S/C12H14O4/c1-12(11(13)14)7-15-10(16-8-12)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)
【InChIKey】
InChIKey=WDSCTZOPHREENN-UHFFFAOYSA-N
【SMILES】
CC1(COC(OC1)c2ccccc2)C(=O)O
【MOL File】
5-METHYL-2-PHENYL-[1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-2-PHENYL-[1,3]DIOXANE-5-CARBOXYLIC ACID.cml