Home Carboxys 5-cyanothiophene-3-carboxylic acid

5-cyanothiophene-3-carboxylic acid

CAS No.:
1211589-12-6
Catalog Number:
AG01AUDZ
Molecular Formula:
C6H3NO2S
Molecular Weight:
153.1585
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Product Description
Catalog Number:
AG01AUDZ
Chemical Name:
5-cyanothiophene-3-carboxylic acid
CAS Number:
1211589-12-6
Molecular Formula:
C6H3NO2S
Molecular Weight:
153.1585
IUPAC Name:
5-cyanothiophene-3-carboxylic acid
InChI:
InChI=1S/C6H3NO2S/c7-2-5-1-4(3-10-5)6(8)9/h1,3H,(H,8,9)
InChI Key:
PVVSPMNBTVRMFC-UHFFFAOYSA-N
SMILES:
N#Cc1scc(c1)C(=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