Home Other Building Blocks 3-Cyanophenylacetic acid

3-Cyanophenylacetic acid

CAS No.:
1878-71-3
Catalog Number:
AG002GHV
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
10g
98%
In Stock USA
United States
$400
- +
25g
98%
In Stock USA
United States
$800
- +
Product Description
Catalog Number:
AG002GHV
Chemical Name:
3-Cyanophenylacetic acid
CAS Number:
1878-71-3
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD06411079
IUPAC Name:
2-(3-cyanophenyl)acetic acid
InChI:
InChI=1S/C9H7NO2/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5H2,(H,11,12)
InChI Key:
ZNXMNKGBHYVNNE-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)CC(=O)O
Properties
Complexity:
216  
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:
1.2  
Properties