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313476-81-2 | 4-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propoxy]benzonitrile
CAS No: 313476-81-2 Catalog No: AG00IUTG MDL No:MFCD09027126
Product Description
Catalog Number:
AG00IUTG
Chemical Name:
4-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propoxy]benzonitrile
CAS Number:
313476-81-2
Molecular Formula:
C18H14N2O3
Molecular Weight:
306.3154
MDL Number:
MFCD09027126
IUPAC Name:
4-[3-(1,3-dioxoisoindol-2-yl)propoxy]benzonitrile
InChI:
InChI=1S/C18H14N2O3/c19-12-13-6-8-14(9-7-13)23-11-3-10-20-17(21)15-4-1-2-5-16(15)18(20)22/h1-2,4-9H,3,10-11H2
InChI Key:
JVSQQQCDNYRHHK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)OCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.321g/mol
Monoisotopic Mass:
306.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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