200,000+ products from a single source!
sales@angenechem.com
159847-83-3 | Benzoic acid, 2-amino-4-cyano-, methyl ester
CAS No: 159847-83-3 Catalog No: AG001RFC MDL No:MFCD20690800
Product Description
Catalog Number:
AG001RFC
Chemical Name:
Benzoic acid, 2-amino-4-cyano-, methyl ester
CAS Number:
159847-83-3
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD20690800
IUPAC Name:
methyl 2-amino-4-cyanobenzoate
InChI:
InChI=1S/C9H8N2O2/c1-13-9(12)7-3-2-6(5-10)4-8(7)11/h2-4H,11H2,1H3
InChI Key:
VCYAYJCEAKQYAM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1N)C#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:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.