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158035-64-4 | 1,3-Dioxane-2-carbonyl chloride, 2,4,6-trimethyl-
CAS No: 158035-64-4 Catalog No: AG001PX9 MDL No:
Product Description
Catalog Number:
AG001PX9
Chemical Name:
1,3-Dioxane-2-carbonyl chloride, 2,4,6-trimethyl-
CAS Number:
158035-64-4
Molecular Formula:
C8H13ClO3
Molecular Weight:
192.6400
IUPAC Name:
2,4,6-trimethyl-1,3-dioxane-2-carbonyl chloride
InChI:
InChI=1S/C8H13ClO3/c1-5-4-6(2)12-8(3,11-5)7(9)10/h5-6H,4H2,1-3H3
InChI Key:
IAWOOWXDAJCTSB-UHFFFAOYSA-N
SMILES:
CC1CC(C)OC(O1)(C)C(=O)Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.055g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.639g/mol
Monoisotopic Mass:
192.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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