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Home > Other Heterocycles > 87937-03-9
87937-03-9 | 3,6,8-Trioxabicyclo[3.2.1]octane, 5-methyl-, (1S)-
CAS No: 87937-03-9 Catalog No: AG004DNA MDL No:
Product Description
Catalog Number:
AG004DNA
Chemical Name:
3,6,8-Trioxabicyclo[3.2.1]octane, 5-methyl-, (1S)-
CAS Number:
87937-03-9
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
IUPAC Name:
(1S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane
InChI:
InChI=1S/C6H10O3/c1-6-4-7-2-5(9-6)3-8-6/h5H,2-4H2,1H3/t5-,6?/m0/s1
InChI Key:
ZYYRPZUNVFRMSX-ZBHICJROSA-N
SMILES:
CC12COC[C@H](O2)CO1
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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