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127493-26-9 | 1,3-Dioxolo[4,5-d]pyrrolo[1,2-b]isoxazole (9CI)
CAS No: 127493-26-9 Catalog No: AG000X4T MDL No:
Product Description
Catalog Number:
AG000X4T
Chemical Name:
1,3-Dioxolo[4,5-d]pyrrolo[1,2-b]isoxazole (9CI)
CAS Number:
127493-26-9
Molecular Formula:
C7H5NO3
Molecular Weight:
151.1195
IUPAC Name:
3,5,7-trioxa-8-azatricyclo[6.3.0.02,6]undeca-1(11),2(6),9-triene
InChI:
InChI=1S/C7H5NO3/c1-2-5-6-7(10-4-9-6)11-8(5)3-1/h1-3H,4H2
InChI Key:
WXPPOVJKPQKHEU-UHFFFAOYSA-N
SMILES:
C1Oc2c(O1)c1n(o2)ccc1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.121g/mol
Monoisotopic Mass:
151.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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