21472-50-4
2-HYDROXY-2-PHENYL-CYCLOHEXANECARBOXYLIC ACID
Name
2-HYDROXY-2-PHENYL-CYCLOHEXANECARBOXYLIC ACID
Formula
C13 H16 O3
MolWeight
220.266
1Identification
【Name】
2-HYDROXY-2-PHENYL-CYCLOHEXANECARBOXYLIC ACID
【CAS】
21472-50-4
;57808-63-6
【MDL】
MFCD01734678
【English Synonyms】
【Formula】
C13 H16 O3
【MolWeight】
220.266
【Inchi】
InChI=1S/C13H16O3/c14-12(15)11-8-4-5-9-13(11,16)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)
【InChIKey】
InChIKey=VCZPUGSOJXZKIP-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C2(CCCCC2C(=O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-HYDROXY-2-PHENYL-CYCLOHEXANECARBOXYLIC ACID.cml
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