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Home > Indoles and Oxindole > 94461-26-4
94461-26-4 | 2-octylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione
CAS No: 94461-26-4 Catalog No: AG005WXJ MDL No:
Product Description
Catalog Number:
AG005WXJ
Chemical Name:
2-octylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione
CAS Number:
94461-26-4
Molecular Formula:
C16H25NO3
Molecular Weight:
279.3746
IUPAC Name:
2-octyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
InChI:
InChI=1S/C16H25NO3/c1-2-3-4-5-6-7-10-17-15(18)13-11-8-9-12(20-11)14(13)16(17)19/h11-14H,2-10H2,1H3
InChI Key:
WMINAGKVFDYDPJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCN1C(=O)C2C(C1=O)C1OC2CC1
NSC Number:
72079
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.183g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.38g/mol
Monoisotopic Mass:
279.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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