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40247-40-3 | 5,8-dihydro-5,8-epoxyisoquinoline
CAS No: 40247-40-3 Catalog No: AG00CULM MDL No:
Product Description
Catalog Number:
AG00CULM
Chemical Name:
5,8-dihydro-5,8-epoxyisoquinoline
CAS Number:
40247-40-3
IUPAC Name:
11-oxa-4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
InChI:
InChI=1S/C9H7NO/c1-2-9-7-5-10-4-3-6(7)8(1)11-9/h1-5,8-9H
InChI Key:
BCRGTOBCMVWIAB-UHFFFAOYSA-N
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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