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55500-24-8 | 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetonitrile
CAS No: 55500-24-8 Catalog No: AG01AUU9 MDL No:MFCD03644648
Product Description
Catalog Number:
AG01AUU9
Chemical Name:
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetonitrile
CAS Number:
55500-24-8
Molecular Formula:
C16H10N2O2
Molecular Weight:
262.2628
MDL Number:
MFCD03644648
IUPAC Name:
2-(1,3-dioxoisoindol-2-yl)-2-phenylacetonitrile
InChI:
InChI=1S/C16H10N2O2/c17-10-14(11-6-2-1-3-7-11)18-15(19)12-8-4-5-9-13(12)16(18)20/h1-9,14H
InChI Key:
ASDPXUZYZAVZRY-UHFFFAOYSA-N
SMILES:
N#CC(N1C(=O)c2c(C1=O)cccc2)c1ccccc1
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.268g/mol
Monoisotopic Mass:
262.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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