2UV

4-hydroxy-4'-propylbiphenyl-3-carboxylic acid

Created:	2014-02-13
Last modified:	2014-03-12

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1 entries where 2UV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	12

2D diagram of 2UV

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Chemical Component Summary
Name	4-hydroxy-4'-propylbiphenyl-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	2-oxidanyl-5-(4-propylphenyl)benzoic acid
Formula	C₁₆ H₁₆ O₃
Molecular Weight	256.296
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c1cc(ccc1O)c2ccc(cc2)CCC
SMILES	CACTVS	3.385	CCCc1ccc(cc1)c2ccc(O)c(c2)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CCCc1ccc(cc1)c2ccc(c(c2)C(=O)O)O
Canonical SMILES	CACTVS	3.385	CCCc1ccc(cc1)c2ccc(O)c(c2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCc1ccc(cc1)c2ccc(c(c2)C(=O)O)O
InChI	InChI	1.03	InChI=1S/C16H16O3/c1-2-3-11-4-6-12(7-5-11)13-8-9-15(17)14(10-13)16(18)19/h4-10,17H,2-3H2,1H3,(H,18,19)
InChIKey	InChI	1.03	UJKHDAKYKWKQAC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	13548111
ChEMBL	CHEMBL3126318

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