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278-85-3 | 6H-Dibenzo[3,4:6,7]cyclohept[1,2-b]oxirene
CAS No: 278-85-3 Catalog No: AG002USY MDL No:
Product Description
Catalog Number:
AG002USY
Chemical Name:
6H-Dibenzo[3,4:6,7]cyclohept[1,2-b]oxirene
CAS Number:
278-85-3
Molecular Formula:
C15H10O
Molecular Weight:
206.2393
IUPAC Name:
3-oxatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),2(4),5,7,9,12,14-heptaene
InChI:
InChI=1S/C15H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)15-14(12)16-15/h1-8H,9H2
InChI Key:
LUXJPFKZLXCSAB-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)C1=C(O1)c1c(C2)cccc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.073g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.244g/mol
Monoisotopic Mass:
206.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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