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Home > Indoles and Oxindole > 19819-60-4
19819-60-4 | 4,7-Epoxy-1H-isoindole-1,3(2H)-dione, hexahydro-2-(4-phenylbutyl)-
CAS No: 19819-60-4 Catalog No: AG002BC4 MDL No:
Product Description
Catalog Number:
AG002BC4
Chemical Name:
4,7-Epoxy-1H-isoindole-1,3(2H)-dione, hexahydro-2-(4-phenylbutyl)-
CAS Number:
19819-60-4
Molecular Formula:
C18H21NO3
Molecular Weight:
299.3642
IUPAC Name:
2-(4-phenylbutyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
InChI:
InChI=1S/C18H21NO3/c20-17-15-13-9-10-14(22-13)16(15)18(21)19(17)11-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2
InChI Key:
IRKFHQFOEDWZOA-UHFFFAOYSA-N
SMILES:
O=C1N(CCCCc2ccccc2)C(=O)C2C1C1CCC2O1
NSC Number:
25612
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.37g/mol
Monoisotopic Mass:
299.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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