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Home > Indoles and Oxindole > 6253-24-3
6253-24-3 | hexahydro-1H-4,7-epoxyisoindole-1,3-dione
CAS No: 6253-24-3 Catalog No: AG00JGOK MDL No:
Product Description
Catalog Number:
AG00JGOK
Chemical Name:
hexahydro-1H-4,7-epoxyisoindole-1,3-dione
CAS Number:
6253-24-3
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
IUPAC Name:
3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
InChI:
InChI=1S/C8H9NO3/c10-7-5-3-1-2-4(12-3)6(5)8(11)9-7/h3-6H,1-2H2,(H,9,10,11)
InChI Key:
VKWSKNKAHKHDRI-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2C1C1CCC2O1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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