Home Other Building Blocks 4-Cyano-2-methylbenzoic acid

4-Cyano-2-methylbenzoic acid

CAS No.:
1975-53-7
Catalog Number:
AG002AUI
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$69
- +
5g
95%
In Stock USA
United States
$213
- +
10g
95%
In Stock USA
United States
$375
- +
25g
95%
In Stock USA
United States
$757
- +
Product Description
Catalog Number:
AG002AUI
Chemical Name:
4-Cyano-2-methylbenzoic acid
CAS Number:
1975-53-7
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD14582960
IUPAC Name:
4-cyano-2-methylbenzoic acid
InChI:
InChI=1S/C9H7NO2/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-4H,1H3,(H,11,12)
InChI Key:
NIDKGLRXRBFGEN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C)C(=O)O
Properties
Complexity:
228  
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:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties