828912-42-1
BUTANOIC ACID, (1R,5S)-3,3,5-TRIMETHYLCYCLOHEXYL ESTER, REL-
Name
BUTANOIC ACID, (1R,5S)-3,3,5-TRIMETHYLCYCLOHEXYL ESTER, REL-
Formula
C13H24O2
MolWeight
212.331
1Identification
【Name】
BUTANOIC ACID, (1R,5S)-3,3,5-TRIMETHYLCYCLOHEXYL ESTER, REL-
【CAS】
【MDL】
MFCD17017778
【English Synonyms】
【Formula】
C13H24O2
【MolWeight】
212.331
【Inchi】
InChI=1S/C13H24O2/c1-5-6-12(14)15-11-7-10(2)8-13(3,4)9-11/h10-11H,5-9H2,1-4H3/t10-,11-/m1/s1
【InChIKey】
InChIKey=UIFRJGOCMUXTRV-GHMZBOCLSA-N
【SMILES】
CCCC(=O)O[C@@H]1C[C@@H](C)CC(C)(C)C1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.9136
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BUTANOIC ACID, (1R,5S)-3,3,5-TRIMETHYLCYCLOHEXYL ESTER, REL-.cml
Quick Release
DIMETHYL CIS-1,2-CYCLOPROPANEDICARBOXYLATE
826-34-6
CYCLOPROPANECARBOXALDEHYDE, 2-[(ACETYLOXY)METHYL]-, (1S,2R)-
397274-64-5
TRANS-CYCLOBUTANE-1,2-DICARBOXYLIC ACID
1124-13-6 ;3396-14-3 ;3396-14-3 ;1124-13-6
(1S,3R)-ACPD
111900-31-3
(S)-(+)-5-OXOTETRAHYDROFURAN-2-CARBOXYLIC ACID
53558-93-3 ;54848-33-8 ;21461-84-7
DEHYDROASCORBIC ACID
490-83-5
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DEHYDROASCORBIC ACID
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