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31060-61-4 | 1H-Indene-1,3(2H)-dione, 2-(4-pyridinylmethylene)-
CAS No: 31060-61-4 Catalog No: AG00321F MDL No:MFCD00160415
Product Description
Catalog Number:
AG00321F
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-(4-pyridinylmethylene)-
CAS Number:
31060-61-4
Molecular Formula:
C15H9NO2
Molecular Weight:
235.2375
MDL Number:
MFCD00160415
IUPAC Name:
2-(pyridin-4-ylmethylidene)indene-1,3-dione
InChI:
InChI=1S/C15H9NO2/c17-14-11-3-1-2-4-12(11)15(18)13(14)9-10-5-7-16-8-6-10/h1-9H
InChI Key:
ZVCKKHFJWNCDQM-UHFFFAOYSA-N
SMILES:
O=C1C(=Cc2ccncc2)C(=O)c2c1cccc2
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.242g/mol
Monoisotopic Mass:
235.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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