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205944-06-5 | 1H-Isoindol-1-one, 2,3-dihydro-3-[(1-oxo-1H-isoindol-3-yl)methylene]-
CAS No: 205944-06-5 Catalog No: AG002AF5 MDL No:
Product Description
Catalog Number:
AG002AF5
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-3-[(1-oxo-1H-isoindol-3-yl)methylene]-
CAS Number:
205944-06-5
Molecular Formula:
C17H10N2O2
Molecular Weight:
274.2735
IUPAC Name:
3-[(3-oxoisoindol-1-ylidene)methyl]isoindol-1-one
InChI:
InChI=1S/C17H10N2O2/c20-16-12-7-3-1-5-10(12)14(18-16)9-15-11-6-2-4-8-13(11)17(21)19-15/h1-9H,(H,18,20)
InChI Key:
DIYGLLIKBDUTBP-UHFFFAOYSA-N
SMILES:
O=C1NC(=CC2=NC(=O)c3c2cccc3)c2c1cccc2
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.074g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.279g/mol
Monoisotopic Mass:
274.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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