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Home > Nitro Compounds > 30433-88-6
30433-88-6 | 2-methyl-5-[(E)-2-nitroethenyl]thiophene
CAS No: 30433-88-6 Catalog No: AG01C8GQ MDL No:MFCD16061747
Product Description
Catalog Number:
AG01C8GQ
Chemical Name:
2-methyl-5-[(E)-2-nitroethenyl]thiophene
CAS Number:
30433-88-6
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
MDL Number:
MFCD16061747
IUPAC Name:
2-methyl-5-(2-nitroethenyl)thiophene
InChI:
InChI=1S/C7H7NO2S/c1-6-2-3-7(11-6)4-5-8(9)10/h2-5H,1H3
InChI Key:
IGZZBRRQXUHTKJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)/C=C/c1ccc(s1)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.198g/mol
Monoisotopic Mass:
169.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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