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115085-17-1 | Benz[3,4]anthra[1,2-b]oxepin
CAS No: 115085-17-1 Catalog No: AG000FVG MDL No:
Product Description
Catalog Number:
AG000FVG
Chemical Name:
Benz[3,4]anthra[1,2-b]oxepin
CAS Number:
115085-17-1
Molecular Formula:
C22H14O
Molecular Weight:
294.3460
IUPAC Name:
13-oxapentacyclo[13.8.0.02,7.08,14.017,22]tricosa-1(23),2,4,6,8(14),9,11,15,17,19,21-undecaene
InChI:
InChI=1S/C22H14O/c1-2-8-16-14-21-20(13-15(16)7-1)18-10-4-3-9-17(18)19-11-5-6-12-23-22(19)21/h1-14H
InChI Key:
ZAJLBASAGMOSBJ-UHFFFAOYSA-N
SMILES:
C1=COc2c(C=C1)c1ccccc1c1c2cc2ccccc2c1
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.104g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.353g/mol
Monoisotopic Mass:
294.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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