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88165-14-4 | 1H-Inden-1-one, 2,3-dihydro-3-imino-2-(2-pyridinyl)-
CAS No: 88165-14-4 Catalog No: AG004DBI MDL No:
Product Description
Catalog Number:
AG004DBI
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-3-imino-2-(2-pyridinyl)-
CAS Number:
88165-14-4
Molecular Formula:
C14H10N2O
Molecular Weight:
222.2420
IUPAC Name:
3-imino-2-pyridin-2-ylinden-1-one
InChI:
InChI=1S/C14H10N2O/c15-13-9-5-1-2-6-10(9)14(17)12(13)11-7-3-4-8-16-11/h1-8,12,15H
InChI Key:
GMHGAUMTASBJLU-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=N)C1c1ccccn1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.247g/mol
Monoisotopic Mass:
222.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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