5835-26-7
ISOPIMARIC ACID
Name
ISOPIMARIC ACID
Formula
C20 H30 O2
MolWeight
302.455
1Identification
【Name】
ISOPIMARIC ACID
【CAS】
【MDL】
MFCD04113116
【English Synonyms】
【Formula】
C20 H30 O2
【MolWeight】
302.455
【Inchi】
InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1
【InChIKey】
InChIKey=MXYATHGRPJZBNA-KRFUXDQASA-N
【SMILES】
C[C@@]1(CC[C@H]2C(=CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)C1)C=C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【WGK Germany】
3
4CML File
ISOPIMARIC ACID.cml
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