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89499-49-0 | 2-Thiophenecarboxylic acid, 4-nitro-5-propyl-, methyl ester
CAS No: 89499-49-0 Catalog No: AG0041W6 MDL No:
Product Description
Catalog Number:
AG0041W6
Chemical Name:
2-Thiophenecarboxylic acid, 4-nitro-5-propyl-, methyl ester
CAS Number:
89499-49-0
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
IUPAC Name:
methyl 4-nitro-5-propylthiophene-2-carboxylate
InChI:
InChI=1S/C9H11NO4S/c1-3-4-7-6(10(12)13)5-8(15-7)9(11)14-2/h5H,3-4H2,1-2H3
InChI Key:
ULWJGNWUVWMYOM-UHFFFAOYSA-N
SMILES:
CCCc1sc(cc1[N+](=O)[O-])C(=O)OC
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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