828912-43-2
2-BUTENOIC ACID,(1R,5R)-3,3,5-TRIMETHYLCYCLOHEXYL ESTER,REL-
Name
2-BUTENOIC ACID,(1R,5R)-3,3,5-TRIMETHYLCYCLOHEXYL ESTER,REL-
pro_formula
C13H22O2
pro_molWeight
210.315
1Identification
【Name】
2-BUTENOIC ACID,(1R,5R)-3,3,5-TRIMETHYLCYCLOHEXYL ESTER,REL-
【CAS】
【MDL】
MFCD17017779
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13H22O2
【pro_molWeight】
210.315
【Inchi】
InChI=1S/C13H22O2/c1-5-6-12(14)15-11-7-10(2)8-13(3,4)9-11/h5-6,10-11H,7-9H2,1-4H3/b6-5+/t10-,11+/m0/s1
【InChIKey】
InChIKey=YYXFUOKJVHMJDQ-PFDYWKIBSA-N
【SMILES】
C\C=C\C(=O)O[C@@H]1C[C@H](C)CC(C)(C)C1
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:2
XLogP3:4.6986
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-BUTENOIC ACID,(1R,5R)-3,3,5-TRIMETHYLCYCLOHEXYL ESTER,REL-.cml
quick_release
L-ISOGLUTAMINE
636-65-7
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1113-41-3
(R)-(-)-2-AMINOBUTANE
513-49-5 ;13250-12-9
(R)-(-)-3-METHYL-2-BUTANOL
598-75-4 ;1572-93-6
SuppliersList
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