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81741-97-1 | 3-Thiophenecarboxylic acid, 4-amino-5-propyl-, methyl ester
CAS No: 81741-97-1 Catalog No: AG005I5P MDL No:
Product Description
Catalog Number:
AG005I5P
Chemical Name:
3-Thiophenecarboxylic acid, 4-amino-5-propyl-, methyl ester
CAS Number:
81741-97-1
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
IUPAC Name:
methyl 4-amino-5-propylthiophene-3-carboxylate
InChI:
InChI=1S/C9H13NO2S/c1-3-4-7-8(10)6(5-13-7)9(11)12-2/h5H,3-4,10H2,1-2H3
InChI Key:
OEEDGYIGRJXIBU-UHFFFAOYSA-N
SMILES:
CCCc1scc(c1N)C(=O)OC
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.268g/mol
Monoisotopic Mass:
199.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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