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21512-16-3 | 5-Cyanothiophene-2-carboxaldehyde
CAS No: 21512-16-3 Catalog No: AG00391N MDL No:MFCD09037804
Product Description
Catalog Number:
AG00391N
Chemical Name:
5-Cyanothiophene-2-carboxaldehyde
CAS Number:
21512-16-3
Molecular Formula:
C6H3NOS
Molecular Weight:
137.1591
MDL Number:
MFCD09037804
IUPAC Name:
5-formylthiophene-2-carbonitrile
InChI:
InChI=1S/C6H3NOS/c7-3-5-1-2-6(4-8)9-5/h1-2,4H
InChI Key:
PZIFYWVUYHMYOA-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)C#N
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.994g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.156g/mol
Monoisotopic Mass:
136.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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