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124499-25-8 | 2-Propenoic acid, 3-[5-(2-aminoethyl)-3-thienyl]-, 1,1-dimethylethyl ester
CAS No: 124499-25-8 Catalog No: AG000M3Y MDL No:MFCD04114540
Product Description
Catalog Number:
AG000M3Y
Chemical Name:
2-Propenoic acid, 3-[5-(2-aminoethyl)-3-thienyl]-, 1,1-dimethylethyl ester
CAS Number:
124499-25-8
Molecular Formula:
C13H19NO2S
Molecular Weight:
253.3605
MDL Number:
MFCD04114540
IUPAC Name:
tert-butyl (E)-3-[5-(2-aminoethyl)thiophen-3-yl]prop-2-enoate
InChI:
InChI=1S/C13H19NO2S/c1-13(2,3)16-12(15)5-4-10-8-11(6-7-14)17-9-10/h4-5,8-9H,6-7,14H2,1-3H3/b5-4+
InChI Key:
CWLQBIQWUIALLE-SNAWJCMRSA-N
SMILES:
NCCc1scc(c1)C=CC(=O)OC(C)(C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
253.114g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.36g/mol
Monoisotopic Mass:
253.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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