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Home > Other Heterocycles > 862374-39-8
862374-39-8 | 3,9-DIOXABICYCLO[4.2.1]NON-7-EN-4-ONE, (1S,6S)-
CAS No: 862374-39-8 Catalog No: AG004JTH MDL No:
Product Description
Catalog Number:
AG004JTH
Chemical Name:
3,9-DIOXABICYCLO[4.2.1]NON-7-EN-4-ONE, (1S,6S)-
CAS Number:
862374-39-8
Molecular Formula:
C7H8O3
Molecular Weight:
140.1366
IUPAC Name:
(1S,6S)-3,9-dioxabicyclo[4.2.1]non-7-en-4-one
InChI:
InChI=1S/C7H8O3/c8-7-3-5-1-2-6(10-5)4-9-7/h1-2,5-6H,3-4H2/t5-,6+/m1/s1
InChI Key:
QGCNCGSRFBFUNY-RITPCOANSA-N
SMILES:
O=C1OC[C@H]2O[C@@H](C1)C=C2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
140.047g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.138g/mol
Monoisotopic Mass:
140.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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