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7337-81-7 | 3,6-DIOXABICYCLO[6.3.1]DODECA-1(12),8,10-TRIENE-2,7-DIONE
CAS No: 7337-81-7 Catalog No: AG0060NA MDL No:
Product Description
Catalog Number:
AG0060NA
Chemical Name:
3,6-DIOXABICYCLO[6.3.1]DODECA-1(12),8,10-TRIENE-2,7-DIONE
CAS Number:
7337-81-7
Molecular Formula:
C10H8O4
Molecular Weight:
192.1681
IUPAC Name:
3,6-dioxabicyclo[6.3.1]dodeca-1(12),8,10-triene-2,7-dione
InChI:
InChI=1S/C10H8O4/c11-9-7-2-1-3-8(6-7)10(12)14-5-4-13-9/h1-3,6H,4-5H2
InChI Key:
LZFNKJKBRGFWDU-UHFFFAOYSA-N
SMILES:
O=C1OCCOC(=O)c2cc1ccc2
EC Number:
230-852-0
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.17g/mol
Monoisotopic Mass:
192.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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