154026-93-4
HEXANOIC ACID, 6-CHLORO-3,5-DIHYDROXY-, 1,1-DIMETHYLETHYL ESTER, (3R,5S)-
Name
HEXANOIC ACID, 6-CHLORO-3,5-DIHYDROXY-, 1,1-DIMETHYLETHYL ESTER, (3R,5S)-
Formula
C10 H19 Cl O4
MolWeight
238.709
1Identification
【Name】
HEXANOIC ACID, 6-CHLORO-3,5-DIHYDROXY-, 1,1-DIMETHYLETHYL ESTER, (3R,5S)-
【CAS】
【MDL】
MFCD16876377
【English Synonyms】
【Formula】
C10 H19 Cl O4
【MolWeight】
238.709
【Inchi】
InChI=1S/C10H19ClO4/c1-10(2,3)15-9(14)5-7(12)4-8(13)6-11/h7-8,12-13H,4-6H2,1-3H3/t7-,8+/m1/s1
【InChIKey】
InChIKey=FIKPWJZUGTVXCO-SFYZADRCSA-N
【SMILES】
CC(C)(C)OC(=O)C[C@@H](C[C@@H](CCl)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
HEXANOIC ACID, 6-CHLORO-3,5-DIHYDROXY-, 1,1-DIMETHYLETHYL ESTER, (3R,5S)-.cml
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