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Home > Indoles and Oxindole > 1803580-82-6
1803580-82-6 | 1-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)cyclobutane-1-carbonitrile
CAS No: 1803580-82-6 Catalog No: AG01AFFR MDL No:MFCD27980640
Product Description
Catalog Number:
AG01AFFR
Chemical Name:
1-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)cyclobutane-1-carbonitrile
CAS Number:
1803580-82-6
Molecular Formula:
C13H10N2O2
Molecular Weight:
226.2307
MDL Number:
MFCD27980640
IUPAC Name:
1-(1,3-dioxoisoindol-2-yl)cyclobutane-1-carbonitrile
InChI:
InChI=1S/C13H10N2O2/c14-8-13(6-3-7-13)15-11(16)9-4-1-2-5-10(9)12(15)17/h1-2,4-5H,3,6-7H2
InChI Key:
AOMHWFZICCVJLJ-UHFFFAOYSA-N
SMILES:
N#CC1(CCC1)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.235g/mol
Monoisotopic Mass:
226.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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