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27641-33-4 | Dicyclohepta[1,6:2,3]benz[1,2-b]oxirene (9CI)
CAS No: 27641-33-4 Catalog No: AG002UBB MDL No:
Product Description
Catalog Number:
AG002UBB
Chemical Name:
Dicyclohepta[1,6:2,3]benz[1,2-b]oxirene (9CI)
CAS Number:
27641-33-4
Molecular Formula:
C16H12O
Molecular Weight:
220.2659
IUPAC Name:
2-oxatetracyclo[10.5.0.01,3.03,9]heptadeca-4,6,8,10,12,14,16-heptaene
InChI:
InChI=1S/C16H12O/c1-3-7-13-9-10-14-8-4-2-6-12-16(14)15(13,17-16)11-5-1/h1-12H
InChI Key:
FTIXEEWOBUFBEJ-UHFFFAOYSA-N
SMILES:
C1=CC=C2C3(C=C1)OC13C=CC=CC=C1C=C2
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.271g/mol
Monoisotopic Mass:
220.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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