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Home > Other Heterocycles > 56309-94-5
56309-94-5 | Cyclohexanone, 4-(1,4-dioxaspiro[4.5]dec-8-yl)-
CAS No: 56309-94-5 Catalog No: AG00IA23 MDL No:MFCD00809704
Product Description
Catalog Number:
AG00IA23
Chemical Name:
Cyclohexanone, 4-(1,4-dioxaspiro[4.5]dec-8-yl)-
CAS Number:
56309-94-5
Molecular Formula:
C14H22O3
Molecular Weight:
238.3227
MDL Number:
MFCD00809704
IUPAC Name:
4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one
InChI:
InChI=1S/C14H22O3/c15-13-3-1-11(2-4-13)12-5-7-14(8-6-12)16-9-10-17-14/h11-12H,1-10H2
InChI Key:
ZNWLFTSPNBLXGL-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1)C1CCC2(CC1)OCCO2
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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