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113998-32-6

113998-32-6 | 1,3-Dioxane, 5-(2-chloroethyl)-2,2-dimethyl-

CAS No: 113998-32-6 Catalog No: AG000A95 MDL No:

Product Description

Catalog Number:
AG000A95
Chemical Name:
1,3-Dioxane, 5-(2-chloroethyl)-2,2-dimethyl-
CAS Number:
113998-32-6
Molecular Formula:
C8H15ClO2
Molecular Weight:
178.6565
IUPAC Name:
5-(2-chloroethyl)-2,2-dimethyl-1,3-dioxane
InChI:
InChI=1S/C8H15ClO2/c1-8(2)10-5-7(3-4-9)6-11-8/h7H,3-6H2,1-2H3
InChI Key:
NRDCADJWTLJTDR-UHFFFAOYSA-N
SMILES:
ClCCC1COC(OC1)(C)C

Properties

Complexity:
115  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.076g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.656g/mol
Monoisotopic Mass:
178.076g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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