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78071-34-8 | 3-Thiophenecarboxylicacid, 4-cyano-
CAS No: 78071-34-8 Catalog No: AG0055F8 MDL No:MFCD01859850
Product Description
Catalog Number:
AG0055F8
Chemical Name:
3-Thiophenecarboxylicacid, 4-cyano-
CAS Number:
78071-34-8
Molecular Formula:
C6H3NO2S
Molecular Weight:
153.1585
MDL Number:
MFCD01859850
IUPAC Name:
4-cyanothiophene-3-carboxylic acid
InChI:
InChI=1S/C6H3NO2S/c7-1-4-2-10-3-5(4)6(8)9/h2-3H,(H,8,9)
InChI Key:
CGTPGBPWMGOBEY-UHFFFAOYSA-N
SMILES:
N#Cc1cscc1C(=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:
0.8
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