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Home > Indoles and Oxindole > 773-71-7
773-71-7 | 1H-Isoindole-4-carbonitrile, 2,3-dihydro-1,3-dioxo-
CAS No: 773-71-7 Catalog No: AG005N0J MDL No:
Product Description
Catalog Number:
AG005N0J
Chemical Name:
1H-Isoindole-4-carbonitrile, 2,3-dihydro-1,3-dioxo-
CAS Number:
773-71-7
Molecular Formula:
C9H4N2O2
Molecular Weight:
172.1403
IUPAC Name:
1,3-dioxoisoindole-4-carbonitrile
InChI:
InChI=1S/C9H4N2O2/c10-4-5-2-1-3-6-7(5)9(13)11-8(6)12/h1-3H,(H,11,12,13)
InChI Key:
OXXNNGQRVFMKLP-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1C(=O)NC2=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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