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116193-73-8 | 1,3-Dioxane-5-carbonyl chloride, 2-(1-methylethyl)-
CAS No: 116193-73-8 Catalog No: AG000BVA MDL No:
Product Description
Catalog Number:
AG000BVA
Chemical Name:
1,3-Dioxane-5-carbonyl chloride, 2-(1-methylethyl)-
CAS Number:
116193-73-8
Molecular Formula:
C8H13ClO3
Molecular Weight:
192.6400
IUPAC Name:
2-propan-2-yl-1,3-dioxane-5-carbonyl chloride
InChI:
InChI=1S/C8H13ClO3/c1-5(2)8-11-3-6(4-12-8)7(9)10/h5-6,8H,3-4H2,1-2H3
InChI Key:
BIRALNDXXLEWHV-UHFFFAOYSA-N
SMILES:
CC(C1OCC(CO1)C(=O)Cl)C
Properties
Complexity:
162
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:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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