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141054-41-3 | 1H-Pyrrole-2-acetic acid, 5-benzoyl-, ethyl ester
CAS No: 141054-41-3 Catalog No: AG001FTC MDL No:
Product Description
Catalog Number:
AG001FTC
Chemical Name:
1H-Pyrrole-2-acetic acid, 5-benzoyl-, ethyl ester
CAS Number:
141054-41-3
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
IUPAC Name:
ethyl 2-(5-benzoyl-1H-pyrrol-2-yl)acetate
InChI:
InChI=1S/C15H15NO3/c1-2-19-14(17)10-12-8-9-13(16-12)15(18)11-6-4-3-5-7-11/h3-9,16H,2,10H2,1H3
InChI Key:
RHJUDCIVQIJYHJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc([nH]1)C(=O)c1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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