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Home > Other Heterocycles > 88794-46-1
88794-46-1 | 7-Oxabicyclo[4.1.0]heptane-1-methanol, 2,2,6-trimethyl-, (1S,6S)-
CAS No: 88794-46-1 Catalog No: AG004ATW MDL No:
Product Description
Catalog Number:
AG004ATW
Chemical Name:
7-Oxabicyclo[4.1.0]heptane-1-methanol, 2,2,6-trimethyl-, (1S,6S)-
CAS Number:
88794-46-1
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
[(1S,6S)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]methanol
InChI:
InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)10(8,7-11)12-9/h11H,4-7H2,1-3H3/t9-,10+/m0/s1
InChI Key:
QDAZZWCDCGDRAU-VHSXEESVSA-N
SMILES:
OC[C@@]12O[C@@]2(C)CCCC1(C)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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