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23135-72-0 | 4,9-Ethanocycloocta[c]furan (8CI,9CI)
CAS No: 23135-72-0 Catalog No: AG002MBE MDL No:
Product Description
Catalog Number:
AG002MBE
Chemical Name:
4,9-Ethanocycloocta[c]furan (8CI,9CI)
CAS Number:
23135-72-0
Molecular Formula:
C12H10O
Molecular Weight:
170.2072
IUPAC Name:
4-oxatricyclo[5.4.2.02,6]trideca-1(11),2,5,7,9-pentaene
InChI:
InChI=1S/C12H10O/c1-2-4-10-6-5-9(3-1)11-7-13-8-12(10)11/h1-4,7-8H,5-6H2
InChI Key:
KYFALFBHOCSCQP-UHFFFAOYSA-N
SMILES:
C1=CC=C2CCC(=C1)c1c2coc1
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:
3
XLogP3:
2.5
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