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Home > Indoles and Oxindole > 458568-30-4
458568-30-4 | 2,3-dioxo-2,3-dihydro-1H-indole-6-carbonitrile
CAS No: 458568-30-4 Catalog No: AG01BEAQ MDL No:MFCD24600819
Product Description
Catalog Number:
AG01BEAQ
Chemical Name:
2,3-dioxo-2,3-dihydro-1H-indole-6-carbonitrile
CAS Number:
458568-30-4
Molecular Formula:
C9H4N2O2
Molecular Weight:
172.1403
MDL Number:
MFCD24600819
IUPAC Name:
2,3-dioxo-1H-indole-6-carbonitrile
InChI:
InChI=1S/C9H4N2O2/c10-4-5-1-2-6-7(3-5)11-9(13)8(6)12/h1-3H,(H,11,12,13)
InChI Key:
MVYRNTZGIPPDBF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)NC(=O)C2=O
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.027g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.143g/mol
Monoisotopic Mass:
172.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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