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116546-56-6 | 1,3-Dioxolane, 5-(chloromethyl)-2,2,4,4-tetramethyl-
CAS No: 116546-56-6 Catalog No: AG000CRT MDL No:
Product Description
Catalog Number:
AG000CRT
Chemical Name:
1,3-Dioxolane, 5-(chloromethyl)-2,2,4,4-tetramethyl-
CAS Number:
116546-56-6
Molecular Formula:
C8H15ClO2
Molecular Weight:
178.6565
IUPAC Name:
5-(chloromethyl)-2,2,4,4-tetramethyl-1,3-dioxolane
InChI:
InChI=1S/C8H15ClO2/c1-7(2)6(5-9)10-8(3,4)11-7/h6H,5H2,1-4H3
InChI Key:
XKSFRLRLLQIRRB-UHFFFAOYSA-N
SMILES:
ClCC1OC(OC1(C)C)(C)C
Properties
Complexity:
154
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:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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