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24755-31-5 | Benzo[4,5]cyclodec[1,2-b]oxirene (9CI)
CAS No: 24755-31-5 Catalog No: AG002PBB MDL No:
Product Description
Catalog Number:
AG002PBB
Chemical Name:
Benzo[4,5]cyclodec[1,2-b]oxirene (9CI)
CAS Number:
24755-31-5
Molecular Formula:
C14H10O
Molecular Weight:
194.2286
IUPAC Name:
4-oxatricyclo[9.4.0.03,5]pentadeca-1,3(5),6,8,10,12,14-heptaene
InChI:
InChI=1S/C14H10O/c1-2-6-11-7-4-5-8-12(11)10-14-13(15-14)9-3-1/h1-10H
InChI Key:
WLMIHIUBHUIAMB-UHFFFAOYSA-N
SMILES:
c1ccc2Oc2cc2c(cc1)cccc2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.073g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.233g/mol
Monoisotopic Mass:
194.073g/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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