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Home > Other Heterocycles > 828916-84-3
828916-84-3 | 3-Oxabicyclo[3.2.0]heptan-2-one, 5-hydroxy-6,6-dimethoxy-
CAS No: 828916-84-3 Catalog No: AG0054XU MDL No:
Product Description
Catalog Number:
AG0054XU
Chemical Name:
3-Oxabicyclo[3.2.0]heptan-2-one, 5-hydroxy-6,6-dimethoxy-
CAS Number:
828916-84-3
Molecular Formula:
C8H12O5
Molecular Weight:
188.1779
IUPAC Name:
5-hydroxy-6,6-dimethoxy-3-oxabicyclo[3.2.0]heptan-2-one
InChI:
InChI=1S/C8H12O5/c1-11-8(12-2)3-5-6(9)13-4-7(5,8)10/h5,10H,3-4H2,1-2H3
InChI Key:
WJPXBQXFFFMTIR-UHFFFAOYSA-N
SMILES:
COC1(OC)CC2C1(O)COC2=O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.179g/mol
Monoisotopic Mass:
188.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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