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Home > Indoles and Oxindole > 88124-97-4
88124-97-4 | 1H-Isoindole-1,3(2H)-dione, 2-[5-(3,3-dimethyloxiranyl)-3-methylpentyl]-
CAS No: 88124-97-4 Catalog No: AG004FI6 MDL No:
Product Description
Catalog Number:
AG004FI6
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[5-(3,3-dimethyloxiranyl)-3-methylpentyl]-
CAS Number:
88124-97-4
Molecular Formula:
C18H23NO3
Molecular Weight:
301.3801
IUPAC Name:
2-[5-(3,3-dimethyloxiran-2-yl)-3-methylpentyl]isoindole-1,3-dione
InChI:
InChI=1S/C18H23NO3/c1-12(8-9-15-18(2,3)22-15)10-11-19-16(20)13-6-4-5-7-14(13)17(19)21/h4-7,12,15H,8-11H2,1-3H3
InChI Key:
GDWVNIVQOVDBBC-UHFFFAOYSA-N
SMILES:
CC(CCC1OC1(C)C)CCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.168g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.386g/mol
Monoisotopic Mass:
301.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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