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Home > Other Heterocycles > 31996-72-2
31996-72-2 | 2-oxabicyclo[4.2.0]octan-7-one
CAS No: 31996-72-2 Catalog No: AG00I629 MDL No:MFCD24447926
Product Description
Catalog Number:
AG00I629
Chemical Name:
2-oxabicyclo[4.2.0]octan-7-one
CAS Number:
31996-72-2
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD24447926
IUPAC Name:
2-oxabicyclo[4.2.0]octan-7-one
InChI:
InChI=1S/C7H10O2/c8-6-4-7-5(6)2-1-3-9-7/h5,7H,1-4H2
InChI Key:
CKAFSLVZGWLORL-UHFFFAOYSA-N
SMILES:
O=C1CC2C1CCCO2
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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