Home Carboxys 3-cyanothiophene-2-carboxylic acid

3-cyanothiophene-2-carboxylic acid

CAS No.:
58231-00-8
Catalog Number:
AG01A87C
Molecular Formula:
C6H3NO2S
Molecular Weight:
153.1585
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A87C
Chemical Name:
3-cyanothiophene-2-carboxylic acid
CAS Number:
58231-00-8
Molecular Formula:
C6H3NO2S
Molecular Weight:
153.1585
MDL Number:
MFCD01859848
IUPAC Name:
3-cyanothiophene-2-carboxylic acid
InChI:
InChI=1S/C6H3NO2S/c7-3-4-1-2-10-5(4)6(8)9/h1-2H,(H,8,9)
InChI Key:
AHKYFPXBUQSQAK-UHFFFAOYSA-N
SMILES:
N#Cc1ccsc1C(=O)O
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.988g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
153.155g/mol
Monoisotopic Mass:
152.988g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties