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Home > Other Heterocycles > 917878-27-4
917878-27-4 | 1,4-Dioxaspiro[4.5]dec-6-en-8-one, 2,3,7,9,9-pentamethyl-, (2R,3R)-
CAS No: 917878-27-4 Catalog No: AG006C1F MDL No:
Product Description
Catalog Number:
AG006C1F
Chemical Name:
1,4-Dioxaspiro[4.5]dec-6-en-8-one, 2,3,7,9,9-pentamethyl-, (2R,3R)-
CAS Number:
917878-27-4
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
(2R,3R)-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
InChI:
InChI=1S/C13H20O3/c1-8-6-13(7-12(4,5)11(8)14)15-9(2)10(3)16-13/h6,9-10H,7H2,1-5H3/t9-,10-/m1/s1
InChI Key:
NHQDIPMMOAKZBJ-NXEZZACHSA-N
SMILES:
C[C@H]1OC2(O[C@@H]1C)C=C(C)C(=O)C(C2)(C)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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