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23135-73-1 | 5,8-Ethanocycloocta[c]furan
CAS No: 23135-73-1 Catalog No: AG002MBD MDL No:
Product Description
Catalog Number:
AG002MBD
Chemical Name:
5,8-Ethanocycloocta[c]furan
CAS Number:
23135-73-1
Molecular Formula:
C12H10O
Molecular Weight:
170.2072
IUPAC Name:
5-oxatricyclo[7.2.2.03,7]trideca-1,3,6,8,10-pentaene
InChI:
InChI=1S/C12H10O/c1-2-10-4-3-9(1)5-11-7-13-8-12(11)6-10/h1-2,5-8H,3-4H2
InChI Key:
DEADRPOPCCBVSN-UHFFFAOYSA-N
SMILES:
o1cc2c(c1)C=C1CCC(=C2)C=C1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.073g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.211g/mol
Monoisotopic Mass:
170.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.5
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