517892-17-0
EXO-3-(4-METHYLBENZOYL)-BICYCLO[2.2.1]HEPTANE-ENDO-2-CARBOXYLIC ACID
NameEXO-3-(4-METHYLBENZOYL)-BICYCLO[2.2.1]HEPTANE-ENDO-2-CARBOXYLIC ACID
1Identification
【Name】
EXO-3-(4-METHYLBENZOYL)-BICYCLO[2.2.1]HEPTANE-ENDO-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11505094
【English Synonyms】
【Formula】
C16 H18 O3
【MolWeight】
258.315
【Inchi】
InChI=1S/C16H18O3/c1-9-2-4-10(5-3-9)15(17)13-11-6-7-12(8-11)14(13)16(18)19/h2-5,11-14H,6-8H2,1H3,(H,18,19)/t11-,12+,13+,14+/m0/s1
【InChIKey】
InChIKey=OLIJDVVFIGHTLM-REWJHTLYSA-N
【SMILES】
Cc1ccc(cc1)C(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)O
【MOL File】
EXO-3-(4-METHYLBENZO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
EXO-3-(4-METHYLBENZOYL)-BICYCLO[2.2.1]HEPTANE-ENDO-2-CARBOXYLIC ACID.cml