658704-71-3
ENDO-3-(4-METHYLBENZOYL)-7-OXABICYCLO[2.2.1]HEPTANE-EXO-2-CARBOXYLIC ACID
NameENDO-3-(4-METHYLBENZOYL)-7-OXABICYCLO[2.2.1]HEPTANE-EXO-2-CARBOXYLIC ACID
1Identification
【Name】
ENDO-3-(4-METHYLBENZOYL)-7-OXABICYCLO[2.2.1]HEPTANE-EXO-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11505098
【English Synonyms】
【Formula】
C15 H16 O4
【MolWeight】
260.287
【Inchi】
InChI=1S/C15H16O4/c1-8-2-4-9(5-3-8)14(16)12-10-6-7-11(19-10)13(12)15(17)18/h2-5,10-13H,6-7H2,1H3,(H,17,18)/t10-,11+,12+,13+/m1/s1
【InChIKey】
InChIKey=XQSHVUSGAKRWTR-VOAKCMCISA-N
【SMILES】
Cc1ccc(cc1)C(=O)[C@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)O3
【MOL File】
ENDO-3-(4-METHYLBENZ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ENDO-3-(4-METHYLBENZOYL)-7-OXABICYCLO[2.2.1]HEPTANE-EXO-2-CARBOXYLIC ACID.cml