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20181-90-2 | 2-Thiophenecarboxylic acid, 5-ethyl-4-nitro-
CAS No: 20181-90-2 Catalog No: AG0027VG MDL No:
Product Description
Catalog Number:
AG0027VG
Chemical Name:
2-Thiophenecarboxylic acid, 5-ethyl-4-nitro-
CAS Number:
20181-90-2
Molecular Formula:
C7H7NO4S
Molecular Weight:
201.1998
IUPAC Name:
5-ethyl-4-nitrothiophene-2-carboxylic acid
InChI:
InChI=1S/C7H7NO4S/c1-2-5-4(8(11)12)3-6(13-5)7(9)10/h3H,2H2,1H3,(H,9,10)
InChI Key:
XJJXJWUNBIYYGF-UHFFFAOYSA-N
SMILES:
CCc1sc(cc1[N+](=O)[O-])C(=O)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.01g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.196g/mol
Monoisotopic Mass:
201.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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