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173601-02-0 | 1H-Indole-1-carboxylic acid, 2,3-dihydro-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 173601-02-0 Catalog No: AG001Z2S MDL No:
Product Description
Catalog Number:
AG001Z2S
Chemical Name:
1H-Indole-1-carboxylic acid, 2,3-dihydro-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
173601-02-0
Molecular Formula:
C13H12N2O4
Molecular Weight:
260.2454
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 2,3-dihydroindole-1-carboxylate
InChI:
InChI=1S/C13H12N2O4/c16-11-5-6-12(17)15(11)19-13(18)14-8-7-9-3-1-2-4-10(9)14/h1-4H,5-8H2
InChI Key:
OXALIUDFTSXBPQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c1cccc2)ON1C(=O)CCC1=O
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.249g/mol
Monoisotopic Mass:
260.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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