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Home Carboxys 2-Bibenzylcarboxylic acid

2-Bibenzylcarboxylic acid

CAS No.:
4890-85-1
Catalog Number:
AG00DEA4
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$111
- +
1g
97%
In Stock USA
United States
$116
- +
5g
97%
In Stock USA
United States
$173
- +
Product Description
Catalog Number:
AG00DEA4
Chemical Name:
2-Bibenzylcarboxylic acid
CAS Number:
4890-85-1
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
MDL Number:
MFCD00002485
IUPAC Name:
2-(2-phenylethyl)benzoic acid
InChI:
InChI=1S/C15H14O2/c16-15(17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17)
InChI Key:
IOHPVZBSOKLVMN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1CCc1ccccc1
EC Number:
225-511-8
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Contribution of CoA ligases to benzenoid biosynthesis in petunia flowers. The Plant cell 20120501
4-[Bis(4-fluoro-phen-yl)meth-yl]piperazin-1-ium bis-(trichloro-acetate) 0.4-hydrate. Acta crystallographica. Section E, Structure reports online 20120401
4-[Bis(4-fluoro-phen-yl)meth-yl]piperazin-1-ium 2-hy-droxy-benzoate 2-hy-droxy-benzoic acid monosolvate. Acta crystallographica. Section E, Structure reports online 20120401
4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-(2-phenylethyl)benzoate. Acta crystallographica. Section E, Structure reports online 20111001
4-(4-Chloro-phen-yl)-4-hy-droxy-piperidinium 2-(2-phenyl-eth-yl)benzoate. Acta crystallographica. Section E, Structure reports online 20110701
Properties