Home Aminos Methyl 4-amino-3-cyanobenzoate

Methyl 4-amino-3-cyanobenzoate

CAS No.:
159847-80-0
Catalog Number:
AG001RFF
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$73
- +
1g
98%
In Stock USA
United States
$182
- +
5g
98%
In Stock USA
United States
$550
- +
10g
98%
In Stock USA
United States
$900
- +
25g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG001RFF
Chemical Name:
Methyl 4-amino-3-cyanobenzoate
CAS Number:
159847-80-0
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD16038776
IUPAC Name:
methyl 4-amino-3-cyanobenzoate
InChI:
InChI=1S/C9H8N2O2/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4H,11H2,1H3
InChI Key:
QSPXZVQTLYMWEU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C#N)N
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties