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Home > Aldehydes > 119587-66-5
119587-66-5 | 1H-Indole-3-carboxaldehyde, 3-(acetyloxy)-2,3-dihydro-2-oxo-
CAS No: 119587-66-5 Catalog No: AG000IZF MDL No:
Product Description
Catalog Number:
AG000IZF
Chemical Name:
1H-Indole-3-carboxaldehyde, 3-(acetyloxy)-2,3-dihydro-2-oxo-
CAS Number:
119587-66-5
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
IUPAC Name:
(3-formyl-2-oxo-1H-indol-3-yl) acetate
InChI:
InChI=1S/C11H9NO4/c1-7(14)16-11(6-13)8-4-2-3-5-9(8)12-10(11)15/h2-6H,1H3,(H,12,15)
InChI Key:
YNGOICCSHRVLKQ-UHFFFAOYSA-N
SMILES:
O=CC1(OC(=O)C)C(=O)Nc2c1cccc2
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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