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Home > Other Heterocycles > 7140-63-8
7140-63-8 | 9-oxabicyclo[4.2.1]nona-2,4,7-triene
CAS No: 7140-63-8 Catalog No: AG0068O4 MDL No:
Product Description
Catalog Number:
AG0068O4
Chemical Name:
9-oxabicyclo[4.2.1]nona-2,4,7-triene
CAS Number:
7140-63-8
Molecular Formula:
C8H8O
Molecular Weight:
120.1485
IUPAC Name:
9-oxabicyclo[4.2.1]nona-2,4,7-triene
InChI:
InChI=1S/C8H8O/c1-2-4-8-6-5-7(3-1)9-8/h1-8H
InChI Key:
QRZHVKCGHWXXRG-UHFFFAOYSA-N
SMILES:
C1=CC2C=CC(C=C1)O2
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.151g/mol
Monoisotopic Mass:
120.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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