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15102-28-0 | 2H-Isoindole-2-pentanenitrile, 1,3-dihydro-1,3-dioxo-
CAS No: 15102-28-0 Catalog No: AG001N1H MDL No:
Product Description
Catalog Number:
AG001N1H
Chemical Name:
2H-Isoindole-2-pentanenitrile, 1,3-dihydro-1,3-dioxo-
CAS Number:
15102-28-0
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
5-(1,3-dioxoisoindol-2-yl)pentanenitrile
InChI:
InChI=1S/C13H12N2O2/c14-8-4-1-5-9-15-12(16)10-6-2-3-7-11(10)13(15)17/h2-3,6-7H,1,4-5,9H2
InChI Key:
FDCZUDLRWMQRDZ-UHFFFAOYSA-N
SMILES:
N#CCCCCN1C(=O)c2c(C1=O)cccc2
NSC Number:
19467
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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