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7512-22-3 | Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI)
CAS No: 7512-22-3 Catalog No: AG005EAL MDL No:
Product Description
Catalog Number:
AG005EAL
Chemical Name:
Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI)
CAS Number:
7512-22-3
Molecular Formula:
C22H10O3
Molecular Weight:
322.3130
IUPAC Name:
7-oxahexacyclo[13.6.2.02,10.05,9.012,22.019,23]tricosa-1(22),2(10),3,5(9),11,13,15(23),16,18,20-decaene-6,8-dione
InChI:
InChI=1S/C22H10O3/c23-21-16-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-17(14)20(16)22(24)25-21/h1-10H
InChI Key:
JPGLKLACGIZZOV-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c1c1cc3ccc4c5c3c(c1cc2)ccc5ccc4
NSC Number:
400564
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.063g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.319g/mol
Monoisotopic Mass:
322.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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