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Home > Other Heterocycles > 13920-54-2
13920-54-2 | 2-Oxabicyclo[3.2.0]hepta-3,6-diene
CAS No: 13920-54-2 Catalog No: AG001AHK MDL No:
Product Description
Catalog Number:
AG001AHK
Chemical Name:
2-Oxabicyclo[3.2.0]hepta-3,6-diene
CAS Number:
13920-54-2
Molecular Formula:
C6H6O
Molecular Weight:
94.1112
IUPAC Name:
2-oxabicyclo[3.2.0]hepta-3,6-diene
InChI:
InChI=1S/C6H6O/c1-2-6-5(1)3-4-7-6/h1-6H
InChI Key:
QYLMHRXTFJNXPK-UHFFFAOYSA-N
SMILES:
C1=CC2C(O1)C=C2
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
94.042g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
94.113g/mol
Monoisotopic Mass:
94.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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