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281192-95-8 | N-ethyl-7-azaisatin
CAS No: 281192-95-8 Catalog No: AG00396B MDL No:
Product Description
Catalog Number:
AG00396B
Chemical Name:
N-ethyl-7-azaisatin
CAS Number:
281192-95-8
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
1-ethylpyrrolo[2,3-b]pyridine-2,3-dione
InChI:
InChI=1S/C9H8N2O2/c1-2-11-8-6(4-3-5-10-8)7(12)9(11)13/h3-5H,2H2,1H3
InChI Key:
KZNALZYBNJOBNB-UHFFFAOYSA-N
SMILES:
CCN1C(=O)C(=O)c2c1nccc2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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