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16159-50-5 | Benz[3,4]indeno[5',4':5,6]cyclohept[1,2-b]oxirene (9CI)
CAS No: 16159-50-5 Catalog No: AG001VPY MDL No:
Product Description
Catalog Number:
AG001VPY
Chemical Name:
Benz[3,4]indeno[5',4':5,6]cyclohept[1,2-b]oxirene (9CI)
CAS Number:
16159-50-5
Molecular Formula:
C18H10O
Molecular Weight:
242.2714
IUPAC Name:
9-oxapentacyclo[10.7.0.02,7.08,10.013,17]nonadeca-1(19),2,4,6,8(10),11,13,15,17-nonaene
InChI:
InChI=1S/C18H10O/c1-2-6-15-13(5-1)14-9-8-11-4-3-7-12(11)16(14)10-17-18(15)19-17/h1-10H
InChI Key:
GZKDCCHBKGMVTQ-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1Oc1cc1c2ccc2c1ccc2
Properties
Complexity:
664
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.277g/mol
Monoisotopic Mass:
242.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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