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Home > Other Heterocycles > 141033-92-3
141033-92-3 | 2-Oxabicyclo[3.2.1]octan-7-one, 5-hydroxy-1-methyl-
CAS No: 141033-92-3 Catalog No: AG001FRS MDL No:
Product Description
Catalog Number:
AG001FRS
Chemical Name:
2-Oxabicyclo[3.2.1]octan-7-one, 5-hydroxy-1-methyl-
CAS Number:
141033-92-3
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
IUPAC Name:
5-hydroxy-1-methyl-2-oxabicyclo[3.2.1]octan-7-one
InChI:
InChI=1S/C8H12O3/c1-7-5-8(10,2-3-11-7)4-6(7)9/h10H,2-5H2,1H3
InChI Key:
HQBVSAUEEPMOCH-UHFFFAOYSA-N
SMILES:
O=C1CC2(CC1(C)OCC2)O
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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