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22980-23-0

22980-23-0 | 2-Oxabicyclo[2.2.0]hex-5-en-3-one

CAS No: 22980-23-0 Catalog No: AG006Z76 MDL No:

Product Description

Catalog Number:
AG006Z76
Chemical Name:
2-Oxabicyclo[2.2.0]hex-5-en-3-one
CAS Number:
22980-23-0
Molecular Formula:
C5H4O2
Molecular Weight:
96.0841
IUPAC Name:
2-oxabicyclo[2.2.0]hex-5-en-3-one
InChI:
InChI=1S/C5H4O2/c6-5-3-1-2-4(3)7-5/h1-4H
InChI Key:
QAVYTTBRXJVSNJ-UHFFFAOYSA-N
SMILES:
O=C1OC2C1C=C2

Properties

Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.021g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.085g/mol
Monoisotopic Mass:
96.021g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

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