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141054-42-4 | 1H-Pyrrole-2-acetic acid, 4-benzoyl-, ethyl ester
CAS No: 141054-42-4 Catalog No: AG001FTB MDL No:
Product Description
Catalog Number:
AG001FTB
Chemical Name:
1H-Pyrrole-2-acetic acid, 4-benzoyl-, ethyl ester
CAS Number:
141054-42-4
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
IUPAC Name:
ethyl 2-(4-benzoyl-1H-pyrrol-2-yl)acetate
InChI:
InChI=1S/C15H15NO3/c1-2-19-14(17)9-13-8-12(10-16-13)15(18)11-6-4-3-5-7-11/h3-8,10,16H,2,9H2,1H3
InChI Key:
WDWXCPLBJHVERP-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1[nH]cc(c1)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:
2.2
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