81925-04-4
[1R-(2-内,3-外)]-3-羟基-4,7,7-三甲基二环[2.2.1]庚烷-2-乙酸
Name
[1R-(2-内,3-外)]-3-羟基-4,7,7-三甲基二环[2.2.1]庚烷-2-乙酸
pro_formula
C13 H22 O3
pro_molWeight
226.314
1Identification
【Name】
[1R-(2-内,3-外)]-3-羟基-4,7,7-三甲基二环[2.2.1]庚烷-2-乙酸
【CAS】
【MDL】
MFCD00238759
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H22 O3
【pro_molWeight】
226.314
【Inchi】
InChI=1S/C13H22O3/c1-11(2)12(3)5-6-13(11,4)10(16)8(12)7-9(14)15/h8,10,16H,5-7H2,1-4H3,(H,14,15)/t8-,10-,12-,13+/m1/s1
【InChIKey】
InChIKey=JCOFTFYOJOBBQY-DXLKZPDWSA-N
【SMILES】
CC1([C@@]2(CC[C@]1([C@@H]([C@H]2CC(=O)O)O)C)C)C
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:3
XLogP3:2.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
[1R-(2-内,3-外)]-3-羟基-4,7,7-三甲基二环[2.2.1]庚烷-2-乙酸.cml
quick_release
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