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BFL : Summary

Code

BFL

One-letter code

X

Molecule name

2-(1,1'-BIPHENYL-4-YL)PROPANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-2-biphenyl-4-ylpropanoic acid
OpenEye OEToolkits 1.5.0 (2S)-2-(4-phenylphenyl)propanoic acid

Formula

C15 H14 O2

Formal charge

0

Molecular weight

226.27 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(c2ccc(c1ccccc1)cc2)C
SMILES CACTVS 3.341 C[CH](C(O)=O)c1ccc(cc1)c2ccccc2
SMILES OpenEye OEToolkits 1.5.0 CC(c1ccc(cc1)c2ccccc2)C(=O)O
Canonical SMILES CACTVS 3.341 C[C@H](C(O)=O)c1ccc(cc1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@@H](c1ccc(cc1)c2ccccc2)C(=O)O

IUPAC InChI

InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)/t11-/m0/s1

IUPAC InChI key

JALUUBQFLPUJMY-NSHDSACASA-N
BFL

wwPDB Information

Atom count

31 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-08-18

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned