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106253-12-7 | [1,3]Dioxolo[4,5-f]-1,2-benzisoxazole(9CI)
CAS No: 106253-12-7 Catalog No: AG00841S MDL No:MFCD28956595
Product Description
Catalog Number:
AG00841S
Chemical Name:
[1,3]Dioxolo[4,5-f]-1,2-benzisoxazole(9CI)
CAS Number:
106253-12-7
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
MDL Number:
MFCD28956595
IUPAC Name:
[1,3]dioxolo[4,5-f][1,2]benzoxazole
InChI:
InChI=1S/C8H5NO3/c1-5-3-9-12-6(5)2-8-7(1)10-4-11-8/h1-3H,4H2
InChI Key:
KJSISJFODOOKNG-UHFFFAOYSA-N
SMILES:
C1Oc2c(O1)cc1c(c2)onc1
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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