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Home Other Building Blocks 2-Cyanobenzoic acid

2-Cyanobenzoic acid

CAS No.:
3839-22-3
Catalog Number:
AG00339Z
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$32
- +
5g
95%
In Stock USA
United States
$94
- +
10g
95%
In Stock USA
United States
$182
- +
25g
95%
In Stock USA
United States
$269
- +
100g
95%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00339Z
Chemical Name:
2-Cyanobenzoic acid
CAS Number:
3839-22-3
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
MDL Number:
MFCD00045796
IUPAC Name:
2-cyanobenzoic acid
InChI:
InChI=1S/C8H5NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H,10,11)
InChI Key:
DTNSDCJFTHMDAK-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C(=O)O
NSC Number:
193443
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.032g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
147.133g/mol
Monoisotopic Mass:
147.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
New single-molecule magnet based on Mn12 oxocarboxylate clusters with mixed carboxylate ligands, [Mn12O12(CN-o-C6H4CO2)12(CH3CO2)4(H2O)4]·8CH2Cl2: Synthesis, crystal and electronic structure, magnetic properties. Dalton transactions (Cambridge, England : 2003) 20121128
D-π-A dye system containing cyano-benzoic acid as anchoring group for dye-sensitized solar cells. Langmuir : the ACS journal of surfaces and colloids 20111206
Properties