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40313-84-6 | 2-(2-oxo-2,3-dihydro-1H-indol-3-ylidene)acetonitrile
CAS No: 40313-84-6 Catalog No: AG01AHG2 MDL No:
Product Description
Catalog Number:
AG01AHG2
Chemical Name:
2-(2-oxo-2,3-dihydro-1H-indol-3-ylidene)acetonitrile
CAS Number:
40313-84-6
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
IUPAC Name:
2-(2-oxo-1H-indol-3-ylidene)acetonitrile
InChI:
InChI=1S/C10H6N2O/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-5H,(H,12,13)
InChI Key:
YLSUPMWMHFXGHW-UHFFFAOYSA-N
SMILES:
N#CC=C1C(=O)Nc2c1cccc2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.171g/mol
Monoisotopic Mass:
170.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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