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189277-27-8 | 1H-Indole-2-acetic acid, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 189277-27-8 Catalog No: AG002I6E MDL No:
Product Description
Catalog Number:
AG002I6E
Chemical Name:
1H-Indole-2-acetic acid, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
189277-27-8
Molecular Formula:
C14H12N2O4
Molecular Weight:
272.2561
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 2-(1H-indol-2-yl)acetate
InChI:
InChI=1S/C14H12N2O4/c17-12-5-6-13(18)16(12)20-14(19)8-10-7-9-3-1-2-4-11(9)15-10/h1-4,7,15H,5-6,8H2
InChI Key:
NNQQEKBOVRLPLA-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)Cc1cc2c([nH]1)cccc2
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.26g/mol
Monoisotopic Mass:
272.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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