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Home > Other Heterocycles > 92007-37-9
92007-37-9 | Spiro[1,3-dioxane-2,2'(1'H)-pentalen]-5'(3'H)-one,tetrahydro-5,5-dimethyl-, (3'aR,6'aS)-rel-
CAS No: 92007-37-9 Catalog No: AG00IGZP MDL No:MFCD27957346
Product Description
Catalog Number:
AG00IGZP
Chemical Name:
Spiro[1,3-dioxane-2,2'(1'H)-pentalen]-5'(3'H)-one,tetrahydro-5,5-dimethyl-, (3'aR,6'aS)-rel-
CAS Number:
92007-37-9
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
MDL Number:
MFCD27957346
IUPAC Name:
5',5'-dimethylspiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxane]-2-one
InChI:
InChI=1S/C13H20O3/c1-12(2)7-15-13(16-8-12)5-9-3-11(14)4-10(9)6-13/h9-10H,3-8H2,1-2H3
InChI Key:
DPGJBUWFVDJWGF-UHFFFAOYSA-N
SMILES:
O=C1CC2C(C1)CC1(C2)OCC(CO1)(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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