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122835-45-4 | 3-Thiophenecarboxylic acid, 5-acetyl-2-amino-4-phenyl-, ethyl ester
CAS No: 122835-45-4 Catalog No: AG000JK9 MDL No:MFCD13248796
Product Description
Catalog Number:
AG000JK9
Chemical Name:
3-Thiophenecarboxylic acid, 5-acetyl-2-amino-4-phenyl-, ethyl ester
CAS Number:
122835-45-4
Molecular Formula:
C15H15NO3S
Molecular Weight:
289.3495
MDL Number:
MFCD13248796
IUPAC Name:
ethyl 5-acetyl-2-amino-4-phenylthiophene-3-carboxylate
InChI:
InChI=1S/C15H15NO3S/c1-3-19-15(18)12-11(10-7-5-4-6-8-10)13(9(2)17)20-14(12)16/h4-8H,3,16H2,1-2H3
InChI Key:
XLOPUMWFWQWPFE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)sc(c1c1ccccc1)C(=O)C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.077g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.349g/mol
Monoisotopic Mass:
289.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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