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102233-68-1 | 2-Butenoic acid, 3-[[2-(3-thienyl)ethyl]amino]-, methyl ester
CAS No: 102233-68-1 Catalog No: AG0006Z9 MDL No:
Product Description
Catalog Number:
AG0006Z9
Chemical Name:
2-Butenoic acid, 3-[[2-(3-thienyl)ethyl]amino]-, methyl ester
CAS Number:
102233-68-1
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
IUPAC Name:
methyl 3-(2-thiophen-3-ylethylamino)but-2-enoate
InChI:
InChI=1S/C11H15NO2S/c1-9(7-11(13)14-2)12-5-3-10-4-6-15-8-10/h4,6-8,12H,3,5H2,1-2H3
InChI Key:
XWBYUUCXAYKOPO-UHFFFAOYSA-N
SMILES:
COC(=O)C=C(NCCc1cscc1)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.306g/mol
Monoisotopic Mass:
225.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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