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140947-22-4 | Propanedioic acid, 2-[[2-(5-benzoyl-1H-pyrrol-2-yl)acetyl]oxy]-, 1,3-diethyl ester
CAS No: 140947-22-4 Catalog No: AG001FO7 MDL No:
Product Description
Catalog Number:
AG001FO7
Chemical Name:
Propanedioic acid, 2-[[2-(5-benzoyl-1H-pyrrol-2-yl)acetyl]oxy]-, 1,3-diethyl ester
CAS Number:
140947-22-4
Molecular Formula:
C20H21NO7
Molecular Weight:
387.3832
IUPAC Name:
diethyl 2-[2-(5-benzoyl-1H-pyrrol-2-yl)acetyl]oxypropanedioate
InChI:
InChI=1S/C20H21NO7/c1-3-26-19(24)18(20(25)27-4-2)28-16(22)12-14-10-11-15(21-14)17(23)13-8-6-5-7-9-13/h5-11,18,21H,3-4,12H2,1-2H3
InChI Key:
OUHSTSBPHGFITL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)OC(=O)Cc1ccc([nH]1)C(=O)c1ccccc1
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.132g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
387.388g/mol
Monoisotopic Mass:
387.132g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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