Home Other Building Blocks 2-Cyano-5-methoxybenzoic acid

2-Cyano-5-methoxybenzoic acid

CAS No.:
179028-65-0
Catalog Number:
AG0026P6
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$118
- +
1g
95%
In Stock USA
United States
$313
- +
Product Description
Catalog Number:
AG0026P6
Chemical Name:
2-Cyano-5-methoxybenzoic acid
CAS Number:
179028-65-0
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD00116264
IUPAC Name:
2-cyano-5-methoxybenzoic acid
InChI:
InChI=1S/C9H7NO3/c1-13-7-3-2-6(5-10)8(4-7)9(11)12/h2-4H,1H3,(H,11,12)
InChI Key:
GIVYSLAWUDQJKC-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)O)C#N
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties