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15854-11-2 | 3-Thiophenecarboxylic acid, 2-amino-4-(4-methoxyphenyl)-, ethyl ester
CAS No: 15854-11-2 Catalog No: AG001Q9R MDL No:MFCD01917484
Product Description
Catalog Number:
AG001Q9R
Chemical Name:
3-Thiophenecarboxylic acid, 2-amino-4-(4-methoxyphenyl)-, ethyl ester
CAS Number:
15854-11-2
Molecular Formula:
C14H15NO3S
Molecular Weight:
277.3388
MDL Number:
MFCD01917484
IUPAC Name:
ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate
InChI:
InChI=1S/C14H15NO3S/c1-3-18-14(16)12-11(8-19-13(12)15)9-4-6-10(17-2)7-5-9/h4-8H,3,15H2,1-2H3
InChI Key:
ZUOUKGJUHCKVDK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)scc1c1ccc(cc1)OC
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.338g/mol
Monoisotopic Mass:
277.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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