Home Aminos Methyl 5-amino-2-cyanobenzoate

Methyl 5-amino-2-cyanobenzoate

CAS No.:
947494-53-3
Catalog Number:
AG00III6
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$76
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Product Description
Catalog Number:
AG00III6
Chemical Name:
Methyl 5-amino-2-cyanobenzoate
CAS Number:
947494-53-3
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD21609633
IUPAC Name:
methyl 5-amino-2-cyanobenzoate
InChI:
InChI=1S/C9H8N2O2/c1-13-9(12)8-4-7(11)3-2-6(8)5-10/h2-4H,11H2,1H3
InChI Key:
GBJNJFHFMGGUBN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(N)ccc1C#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:
1.8  
Properties