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Home > Other Heterocycles > 115919-10-3
115919-10-3 | 2-Oxabicyclo[2.2.2]octan-3-one, 4-hydroxy-
CAS No: 115919-10-3 Catalog No: AG000H4M MDL No:
Product Description
Catalog Number:
AG000H4M
Chemical Name:
2-Oxabicyclo[2.2.2]octan-3-one, 4-hydroxy-
CAS Number:
115919-10-3
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
IUPAC Name:
4-hydroxy-2-oxabicyclo[2.2.2]octan-3-one
InChI:
InChI=1S/C7H10O3/c8-6-7(9)3-1-5(10-6)2-4-7/h5,9H,1-4H2
InChI Key:
KPWLAANFBQKIMU-UHFFFAOYSA-N
SMILES:
O=C1OC2CCC1(O)CC2
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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