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121597-23-7 | 1H-Isoindole-1,3(2H)-dione, 2-[(3-phenylpropylidene)amino]-
CAS No: 121597-23-7 Catalog No: AG0015CY MDL No:
Product Description
Catalog Number:
AG0015CY
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(3-phenylpropylidene)amino]-
CAS Number:
121597-23-7
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
IUPAC Name:
2-(3-phenylpropylideneamino)isoindole-1,3-dione
InChI:
InChI=1S/C17H14N2O2/c20-16-14-10-4-5-11-15(14)17(21)19(16)18-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-12H,6,9H2
InChI Key:
KRIONOMICKVSGT-UHFFFAOYSA-N
SMILES:
O=C1N(N=CCCc2ccccc2)C(=O)c2c1cccc2
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.311g/mol
Monoisotopic Mass:
278.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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