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75945-91-4
4-OXO-1-PHENYLCYCLOHEXANECARBOXYLIC ACID
Name
4-OXO-1-PHENYLCYCLOHEXANECARBOXYLIC ACID
Formula
C13 H14 O3
MolWeight
218.251
1Identification
【Name】
4-OXO-1-PHENYLCYCLOHEXANECARBOXYLIC ACID
【CAS】
【MDL】
MFCD06208311
【English Synonyms】
【Formula】
C13 H14 O3
【MolWeight】
218.251
【Inchi】
InChI=1S/C13H14O3/c14-11-6-8-13(9-7-11,12(15)16)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,16)
【InChIKey】
InChIKey=GLXVJOPRMXBHSI-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C2(CCC(=O)CC2)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-OXO-1-PHENYLCYCLOHEXANECARBOXYLIC ACID.cml
Quick Release
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