81925-04-4
(-)-ISOBORNEOLACETIC ACID
Name
(-)-ISOBORNEOLACETIC ACID
Formula
C13 H22 O3
MolWeight
226.314
1Identification
【Name】
(-)-ISOBORNEOLACETIC ACID
【CAS】
【MDL】
MFCD00238759
【English Synonyms】
【Formula】
C13 H22 O3
【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】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(-)-ISOBORNEOLACETIC ACID.cml
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