200,000+ products from a single source!
sales@angenechem.com
102123-28-4 | 2-Thiophenecarboxylic acid, 3-amino-4-cyano-, methyl ester
CAS No: 102123-28-4 Catalog No: AG0006OB MDL No:MFCD00052590
Product Description
Catalog Number:
AG0006OB
Chemical Name:
2-Thiophenecarboxylic acid, 3-amino-4-cyano-, methyl ester
CAS Number:
102123-28-4
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
MDL Number:
MFCD00052590
IUPAC Name:
methyl 3-amino-4-cyanothiophene-2-carboxylate
InChI:
InChI=1S/C7H6N2O2S/c1-11-7(10)6-5(9)4(2-8)3-12-6/h3H,9H2,1H3
InChI Key:
AEWVEROSMGRHRG-UHFFFAOYSA-N
SMILES:
COC(=O)c1scc(c1N)C#N
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.197g/mol
Monoisotopic Mass:
182.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.