Home Other Building Blocks 3-Cyano-4-methoxybenzoic acid

3-Cyano-4-methoxybenzoic acid

CAS No.:
117738-82-6
Catalog Number:
AG000HQZ
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$106
- +
1g
98%
In Stock USA
United States
$319
- +
5g
98%
In Stock USA
United States
$957
- +
10g
98%
In Stock USA
United States
$1594
- +
Product Description
Catalog Number:
AG000HQZ
Chemical Name:
3-Cyano-4-methoxybenzoic acid
CAS Number:
117738-82-6
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD09271826
IUPAC Name:
3-cyano-4-methoxybenzoic acid
InChI:
InChI=1S/C9H7NO3/c1-13-8-3-2-6(9(11)12)4-7(8)5-10/h2-4H,1H3,(H,11,12)
InChI Key:
OTZHDJMZVQTSBJ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1OC)C(=O)O
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:
1.4  
Properties