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89499-48-9 | 2-Thiophenecarboxylic acid, 4-nitro-5-propyl-
CAS No: 89499-48-9 Catalog No: AG0041FQ MDL No:
Product Description
Catalog Number:
AG0041FQ
Chemical Name:
2-Thiophenecarboxylic acid, 4-nitro-5-propyl-
CAS Number:
89499-48-9
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
IUPAC Name:
4-nitro-5-propylthiophene-2-carboxylic acid
InChI:
InChI=1S/C8H9NO4S/c1-2-3-6-5(9(12)13)4-7(14-6)8(10)11/h4H,2-3H2,1H3,(H,10,11)
InChI Key:
URYPLWGQDNPQOK-UHFFFAOYSA-N
SMILES:
CCCc1sc(cc1[N+](=O)[O-])C(=O)O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.223g/mol
Monoisotopic Mass:
215.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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