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Home > Other Heterocycles > 210050-52-5
210050-52-5 | 7-Oxabicyclo[4.1.0]heptane, 1-(1-propyn-1-yl)-, (1R,6R)-
CAS No: 210050-52-5 Catalog No: AG002KKC MDL No:
Product Description
Catalog Number:
AG002KKC
Chemical Name:
7-Oxabicyclo[4.1.0]heptane, 1-(1-propyn-1-yl)-, (1R,6R)-
CAS Number:
210050-52-5
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
IUPAC Name:
(1R,6R)-1-prop-1-ynyl-7-oxabicyclo[4.1.0]heptane
InChI:
InChI=1S/C9H12O/c1-2-6-9-7-4-3-5-8(9)10-9/h8H,3-5,7H2,1H3/t8-,9+/m1/s1
InChI Key:
BVICYJKJWMXMLY-BDAKNGLRSA-N
SMILES:
CC#C[C@@]12CCCC[C@H]2O1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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