Home Other Building Blocks (2-Cyanophenyl)acetic acid

(2-Cyanophenyl)acetic acid

CAS No.:
18698-99-2
Catalog Number:
AG0038WO
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$68
- +
5g
98%
In Stock USA
United States
$203
- +
10g
98%
In Stock USA
United States
$365
- +
25g
98%
In Stock USA
United States
$710
- +
Product Description
Catalog Number:
AG0038WO
Chemical Name:
(2-Cyanophenyl)acetic acid
CAS Number:
18698-99-2
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD15527317
IUPAC Name:
2-(2-cyanophenyl)acetic acid
InChI:
InChI=1S/C9H7NO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5H2,(H,11,12)
InChI Key:
QLHZKPQKYARBGT-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CC(=O)O
EC Number:
242-510-8
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:
1.1  
Properties