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1011716-95-2 | 1H-Pyrrole-3-carboxylic acid, 2-aMino-5-[4-(Methoxycarbonyl)phenyl]-, ethyl ester
CAS No: 1011716-95-2 Catalog No: AG0003W6 MDL No:
Product Description
Catalog Number:
AG0003W6
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 2-aMino-5-[4-(Methoxycarbonyl)phenyl]-, ethyl ester
CAS Number:
1011716-95-2
Molecular Formula:
C15H16N2O4
Molecular Weight:
288.2985
IUPAC Name:
ethyl 2-amino-5-(4-methoxycarbonylphenyl)-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C15H16N2O4/c1-3-21-15(19)11-8-12(17-13(11)16)9-4-6-10(7-5-9)14(18)20-2/h4-8,17H,3,16H2,1-2H3
InChI Key:
QGDWEVWTZYHVHR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc([nH]c1N)c1ccc(cc1)C(=O)OC
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.303g/mol
Monoisotopic Mass:
288.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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