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144174-34-5

144174-34-5 | 4H-1,3-Dioxin-4-one, 2,2-dimethyl-5-(3-oxobutyl)-

CAS No: 144174-34-5 Catalog No: AG001J1T MDL No:

Product Description

Catalog Number:
AG001J1T
Chemical Name:
4H-1,3-Dioxin-4-one, 2,2-dimethyl-5-(3-oxobutyl)-
CAS Number:
144174-34-5
Molecular Formula:
C10H14O4
Molecular Weight:
198.2158
IUPAC Name:
2,2-dimethyl-5-(3-oxobutyl)-1,3-dioxin-4-one
InChI:
InChI=1S/C10H14O4/c1-7(11)4-5-8-6-13-10(2,3)14-9(8)12/h6H,4-5H2,1-3H3
InChI Key:
DWMGPEXWYLLLSM-UHFFFAOYSA-N
SMILES:
CC(=O)CCC1=COC(OC1=O)(C)C

Properties

Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.089g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.218g/mol
Monoisotopic Mass:
198.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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