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Home > Other Heterocycles > 725737-52-0
725737-52-0 | 5-Hexen-2-one, 1-(7R)-1,4-dioxaspiro[4.5]dec-7-yl-
CAS No: 725737-52-0 Catalog No: AG0063U0 MDL No:
Product Description
Catalog Number:
AG0063U0
Chemical Name:
5-Hexen-2-one, 1-(7R)-1,4-dioxaspiro[4.5]dec-7-yl-
CAS Number:
725737-52-0
Molecular Formula:
C14H22O3
Molecular Weight:
238.3227
IUPAC Name:
1-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]hex-5-en-2-one
InChI:
InChI=1S/C14H22O3/c1-2-3-6-13(15)10-12-5-4-7-14(11-12)16-8-9-17-14/h2,12H,1,3-11H2/t12-/m1/s1
InChI Key:
PIKBKNBOQLATEJ-GFCCVEGCSA-N
SMILES:
C=CCCC(=O)C[C@H]1CCCC2(C1)OCCO2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
238.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.327g/mol
Monoisotopic Mass:
238.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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