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173458-92-9 | 1H-Pyrrole-3-carboxylic acid, 2-aMino-5-(4-Methoxyphenyl)-, ethyl ester
CAS No: 173458-92-9 Catalog No: AG001YXC MDL No:
Product Description
Catalog Number:
AG001YXC
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 2-aMino-5-(4-Methoxyphenyl)-, ethyl ester
CAS Number:
173458-92-9
Molecular Formula:
C14H16N2O3
Molecular Weight:
260.2884
IUPAC Name:
ethyl 2-amino-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C14H16N2O3/c1-3-19-14(17)11-8-12(16-13(11)15)9-4-6-10(18-2)7-5-9/h4-8,16H,3,15H2,1-2H3
InChI Key:
MAGIZELSVUYGDI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc([nH]c1N)c1ccc(cc1)OC
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.293g/mol
Monoisotopic Mass:
260.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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