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227312-67-6 | Pyrano[4,3,2-cd]-1,2-benzisoxazole (9CI)
CAS No: 227312-67-6 Catalog No: AG00CGEY MDL No:
Product Description
Catalog Number:
AG00CGEY
Chemical Name:
Pyrano[4,3,2-cd]-1,2-benzisoxazole (9CI)
CAS Number:
227312-67-6
IUPAC Name:
2,7-dioxa-3-azatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaene
InChI:
InChI=1S/C9H5NO2/c1-2-7-9-6(4-5-11-7)10-12-8(9)3-1/h1-5H
InChI Key:
RUOQYIYLHZZKHN-UHFFFAOYSA-N
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.032g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.144g/mol
Monoisotopic Mass:
159.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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