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1488-25-1

1488-25-1 | 7-Oxabicyclo[4.1.0]hepta-2,4-diene

CAS No: 1488-25-1 Catalog No: AG001L7N MDL No:

Product Description

Catalog Number:
AG001L7N
Chemical Name:
7-Oxabicyclo[4.1.0]hepta-2,4-diene
CAS Number:
1488-25-1
Molecular Formula:
C6H6O
Molecular Weight:
94.1112
IUPAC Name:
7-oxabicyclo[4.1.0]hepta-2,4-diene
InChI:
InChI=1S/C6H6O/c1-2-4-6-5(3-1)7-6/h1-6H
InChI Key:
WDFZWSZNOFELJY-UHFFFAOYSA-N
SMILES:
C1=CC2C(C=C1)O2

Properties

Complexity:
119  
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:
12.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Literature

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