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406719-77-5 | 4-cyanothiophene-2-carboxylic acid
CAS No: 406719-77-5 Catalog No: AG0035VN MDL No:MFCD05664844
Product Description
Catalog Number:
AG0035VN
Chemical Name:
4-cyanothiophene-2-carboxylic acid
CAS Number:
406719-77-5
Molecular Formula:
C6H3NO2S
Molecular Weight:
153.1585
MDL Number:
MFCD05664844
IUPAC Name:
4-cyanothiophene-2-carboxylic acid
InChI:
InChI=1S/C6H3NO2S/c7-2-4-1-5(6(8)9)10-3-4/h1,3H,(H,8,9)
InChI Key:
ISGHIGMGRPSNGM-UHFFFAOYSA-N
SMILES:
N#Cc1csc(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
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