88102-22-1
4-(3-ETHOXY-3-OXOPROPYL)BICYCLO[2.2.2]OCTANE-1-CARBOXYLIC ACID
Name4-(3-ETHOXY-3-OXOPROPYL)BICYCLO[2.2.2]OCTANE-1-CARBOXYLIC ACID
1Identification
【Name】
4-(3-ETHOXY-3-OXOPROPYL)BICYCLO[2.2.2]OCTANE-1-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD17014875
【English Synonyms】
【Formula】
C14 H22 O4
【MolWeight】
254.324
【Inchi】
InChI=1S/C14H22O4/c1-2-18-11(15)3-4-13-5-8-14(9-6-13,10-7-13)12(16)17/h2-10H2,1H3,(H,16,17)/t13-,14-
【InChIKey】
InChIKey=IZNBHBWEPPMVPI-HDJSIYSDSA-N
【SMILES】
CCOC(=O)CC[C@@]12CC[C@@](CC1)(CC2)C(=O)O
【MOL File】
4-(3-ETHOXY-3-OXOPRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-(3-ETHOXY-3-OXOPROPYL)BICYCLO[2.2.2]OCTANE-1-CARBOXYLIC ACID.cml