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158683-18-2 | [1,3]Dioxolo[4,5-g]-2,1-benzisoxazole (9CI)
CAS No: 158683-18-2 Catalog No: AG001QQK MDL No:
Product Description
Catalog Number:
AG001QQK
Chemical Name:
[1,3]Dioxolo[4,5-g]-2,1-benzisoxazole (9CI)
CAS Number:
158683-18-2
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
IUPAC Name:
[1,3]dioxolo[4,5-g][2,1]benzoxazole
InChI:
InChI=1S/C8H5NO3/c1-2-6-8(11-4-10-6)7-5(1)3-12-9-7/h1-3H,4H2
InChI Key:
CJSHNZQSBXXNKT-UHFFFAOYSA-N
SMILES:
C1Oc2c(O1)c1nocc1cc2
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.132g/mol
Monoisotopic Mass:
163.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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