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7248-68-2 | 5,6-dihydro-2h-benzo[6,7]cyclohepta[1,2-b]furan-2,3(4h)-dione
CAS No: 7248-68-2 Catalog No: AG005HC2 MDL No:
Product Description
Catalog Number:
AG005HC2
Chemical Name:
5,6-dihydro-2h-benzo[6,7]cyclohepta[1,2-b]furan-2,3(4h)-dione
CAS Number:
7248-68-2
Molecular Formula:
C13H10O3
Molecular Weight:
214.2167
IUPAC Name:
3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),10,12-tetraene-4,5-dione
InChI:
InChI=1S/C13H10O3/c14-11-10-7-3-5-8-4-1-2-6-9(8)12(10)16-13(11)15/h1-2,4,6H,3,5,7H2
InChI Key:
SGWFILHKFKEBSH-UHFFFAOYSA-N
SMILES:
O=C1C(=O)OC2=C1CCCc1c2cccc1
NSC Number:
46658
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.22g/mol
Monoisotopic Mass:
214.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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