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Home > Nitro Compounds > 128496-62-8
128496-62-8 | 2-nitrothiophen-3-ol
CAS No: 128496-62-8 Catalog No: AG01AP2V MDL No:MFCD08694900
Product Description
Catalog Number:
AG01AP2V
Chemical Name:
2-nitrothiophen-3-ol
CAS Number:
128496-62-8
Molecular Formula:
C4H3NO3S
Molecular Weight:
145.1365
MDL Number:
MFCD08694900
IUPAC Name:
2-nitrothiophen-3-ol
InChI:
InChI=1S/C4H3NO3S/c6-3-1-2-9-4(3)5(7)8/h1-2,6H
InChI Key:
GGYSGQDBBYUOPW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1sccc1O
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.983g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.132g/mol
Monoisotopic Mass:
144.983g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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