Home Other Building Blocks 4-(Cyanomethyl)benzoic acid

4-(Cyanomethyl)benzoic acid

CAS No.:
50685-26-2
Catalog Number:
AG0038P3
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$75
- +
1g
97%
In Stock USA
United States
$125
- +
5g
97%
In Stock USA
United States
$500
- +
10g
97%
In Stock USA
United States
$825
- +
25g
97%
In Stock USA
United States
$1650
- +
Product Description
Catalog Number:
AG0038P3
Chemical Name:
4-(Cyanomethyl)benzoic acid
CAS Number:
50685-26-2
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD00020382
IUPAC Name:
4-(cyanomethyl)benzoic acid
InChI:
InChI=1S/C9H7NO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5H2,(H,11,12)
InChI Key:
RSGBXCFAYHOKQZ-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)C(=O)O
NSC Number:
113990
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties