5449-45-6
2-(BIPHENYL-4-YL)HEXANOIC ACID
Name2-(BIPHENYL-4-YL)HEXANOIC ACID
1Identification
【Name】
2-(BIPHENYL-4-YL)HEXANOIC ACID
【CAS】
【MDL】
MFCD22987315
【English Synonyms】
【Formula】
C18 H20 O2
【MolWeight】
268.354
【Inchi】
InChI=1S/C18H20O2/c1-2-3-9-17(18(19)20)16-12-10-15(11-13-16)14-7-5-4-6-8-14/h4-8,10-13,17H,2-3,9H2,1H3,(H,19,20)
【InChIKey】
InChIKey=MGZPEPHDIXDHFK-UHFFFAOYSA-N
【SMILES】
CCCCC(c1ccc(cc1)c2ccccc2)C(=O)O
【MOL File】
2-(BIPHENYL-4-YL)HEX….mol
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)
4CML File
2-(BIPHENYL-4-YL)HEXANOIC ACID.cml