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101329-41-3 | 3-Thiophenecarboxylic acid, 2-(butylamino)-, methyl ester
CAS No: 101329-41-3 Catalog No: AG00048D MDL No:
Product Description
Catalog Number:
AG00048D
Chemical Name:
3-Thiophenecarboxylic acid, 2-(butylamino)-, methyl ester
CAS Number:
101329-41-3
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
IUPAC Name:
methyl 2-(butylamino)thiophene-3-carboxylate
InChI:
InChI=1S/C10H15NO2S/c1-3-4-6-11-9-8(5-7-14-9)10(12)13-2/h5,7,11H,3-4,6H2,1-2H3
InChI Key:
FSXXOZJTEMIWPY-UHFFFAOYSA-N
SMILES:
CCCCNc1sccc1C(=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:
213.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.295g/mol
Monoisotopic Mass:
213.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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