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36034-94-3 | 2-Thiophenecarboxaldehyde, 3-methyl-5-nitro-
CAS No: 36034-94-3 Catalog No: AG007CMX MDL No:
Product Description
Catalog Number:
AG007CMX
Chemical Name:
2-Thiophenecarboxaldehyde, 3-methyl-5-nitro-
CAS Number:
36034-94-3
Molecular Formula:
C6H5NO3S
Molecular Weight:
171.1738
IUPAC Name:
3-methyl-5-nitrothiophene-2-carbaldehyde
InChI:
InChI=1S/C6H5NO3S/c1-4-2-6(7(9)10)11-5(4)3-8/h2-3H,1H3
InChI Key:
POPDUFXKFQCSPW-UHFFFAOYSA-N
SMILES:
O=Cc1sc(cc1C)[N+](=O)[O-]
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.999g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.17g/mol
Monoisotopic Mass:
170.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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