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42214-70-0 | 2H-Naphth[1,8-cd]isoxazole(9CI)
CAS No: 42214-70-0 Catalog No: AG00CXJE MDL No:
Product Description
Catalog Number:
AG00CXJE
Chemical Name:
2H-Naphth[1,8-cd]isoxazole(9CI)
CAS Number:
42214-70-0
IUPAC Name:
2-oxa-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
InChI:
InChI=1S/C10H7NO/c1-3-7-4-2-6-9-10(7)8(5-1)11-12-9/h1-6,11H
InChI Key:
XPVBJZSKJIQEAP-UHFFFAOYSA-N
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.172g/mol
Monoisotopic Mass:
157.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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