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13988-26-6 | 2,5,8-Benzotrioxacycloundecin-1,9-dione, 3,4,6,7-tetrahydro-
CAS No: 13988-26-6 Catalog No: AG001BRF MDL No:
Product Description
Catalog Number:
AG001BRF
Chemical Name:
2,5,8-Benzotrioxacycloundecin-1,9-dione, 3,4,6,7-tetrahydro-
CAS Number:
13988-26-6
Molecular Formula:
C12H12O5
Molecular Weight:
236.2207
IUPAC Name:
3,6,9-trioxabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione
InChI:
InChI=1S/C12H12O5/c13-11-9-3-1-2-4-10(9)12(14)17-8-6-15-5-7-16-11/h1-4H,5-8H2
InChI Key:
LZEGUDFMCKJMPX-UHFFFAOYSA-N
SMILES:
O=C1OCCOCCOC(=O)c2c1cccc2
EC Number:
237-784-0
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.223g/mol
Monoisotopic Mass:
236.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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