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Home > Other Heterocycles > 139555-22-9
139555-22-9 | Bicyclo[4.2.0]octa-3,6(1)-diene-2,5-dione, 7-(acetyloxy)-
CAS No: 139555-22-9 Catalog No: AG001B9B MDL No:
Product Description
Catalog Number:
AG001B9B
Chemical Name:
Bicyclo[4.2.0]octa-3,6(1)-diene-2,5-dione, 7-(acetyloxy)-
CAS Number:
139555-22-9
Molecular Formula:
C10H8O4
Molecular Weight:
192.1681
IUPAC Name:
(2,5-dioxo-7-bicyclo[4.2.0]octa-1(6),3-dienyl) acetate
InChI:
InChI=1S/C10H8O4/c1-5(11)14-9-4-6-7(12)2-3-8(13)10(6)9/h2-3,9H,4H2,1H3
InChI Key:
JNVXKWNSJBPZTQ-UHFFFAOYSA-N
SMILES:
CC(=O)OC1CC2=C1C(=O)C=CC2=O
Properties
Complexity:
400
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:
2
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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