733742-86-4
CIS-3-BENZOYLCYCLOHEXANE-1-CARBOXYLIC ACID
Name
CIS-3-BENZOYLCYCLOHEXANE-1-CARBOXYLIC ACID
Formula
C14 H16 O3
MolWeight
232.277
1Identification
【Name】
CIS-3-BENZOYLCYCLOHEXANE-1-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD01311278
【English Synonyms】
【Formula】
C14 H16 O3
【MolWeight】
232.277
【Inchi】
InChI=1S/C14H16O3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-3,5-6,11-12H,4,7-9H2,(H,16,17)/t11-,12+/m1/s1
【InChIKey】
InChIKey=LCOMXIQTOGETME-NEPJUHHUSA-N
【SMILES】
c1ccc(cc1)C(=O)[C@@H]2CCC[C@@H](C2)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CIS-3-BENZOYLCYCLOHEXANE-1-CARBOXYLIC ACID.cml
Quick Release
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