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Home > Indoles and Oxindole > 69367-01-7
69367-01-7 | 2H-Isoindole-2-carbonitrile, 1,3-dihydro-
CAS No: 69367-01-7 Catalog No: AG005N8T MDL No:MFCD19690749
Product Description
Catalog Number:
AG005N8T
Chemical Name:
2H-Isoindole-2-carbonitrile, 1,3-dihydro-
CAS Number:
69367-01-7
Molecular Formula:
C9H8N2
Molecular Weight:
144.1732
MDL Number:
MFCD19690749
IUPAC Name:
1,3-dihydroisoindole-2-carbonitrile
InChI:
InChI=1S/C9H8N2/c10-7-11-5-8-3-1-2-4-9(8)6-11/h1-4H,5-6H2
InChI Key:
JIKNSBXBRVGCNU-UHFFFAOYSA-N
SMILES:
N#CN1Cc2c(C1)cccc2
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.177g/mol
Monoisotopic Mass:
144.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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