3569-10-6
VALERENIC ACID
Name
VALERENIC ACID
Formula
C15 H22 O2
MolWeight
234.337
1Identification
【Name】
VALERENIC ACID
【CAS】
【MDL】
MFCD00075694
【English Synonyms】
【Formula】
C15 H22 O2
【MolWeight】
234.337
【Inchi】
InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+/t9-,12+,13-/m1/s1
【InChIKey】
InChIKey=FEBNTWHYQKGEIQ-SUKRRCERSA-N
【SMILES】
C[C@@H]1CC[C@H](C2=C(CC[C@H]12)C)/C=C(\C)/C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
VALERENIC ACID.cml
Quick Release
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