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130576-77-1 | 6H-Oxeto[2,3-f]-1,3-benzodioxole (9CI)
CAS No: 130576-77-1 Catalog No: AG000UNP MDL No:
Product Description
Catalog Number:
AG000UNP
Chemical Name:
6H-Oxeto[2,3-f]-1,3-benzodioxole (9CI)
CAS Number:
130576-77-1
Molecular Formula:
C8H6O3
Molecular Weight:
150.1314
IUPAC Name:
4,9,11-trioxatricyclo[6.3.0.03,6]undeca-1(8),2,6-triene
InChI:
InChI=1S/C8H6O3/c1-5-3-9-6(5)2-8-7(1)10-4-11-8/h1-2H,3-4H2
InChI Key:
AKFLYUGOENFUNM-UHFFFAOYSA-N
SMILES:
C1Oc2c(O1)cc1c(c2)OC1
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.133g/mol
Monoisotopic Mass:
150.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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