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13273-85-3 | 1,3-Dioxane, 2,5,5-trimethyl-2-(3-methylbutyl)-
CAS No: 13273-85-3 Catalog No: AG00112H MDL No:
Product Description
Catalog Number:
AG00112H
Chemical Name:
1,3-Dioxane, 2,5,5-trimethyl-2-(3-methylbutyl)-
CAS Number:
13273-85-3
Molecular Formula:
C12H24O2
Molecular Weight:
200.3178
IUPAC Name:
2,5,5-trimethyl-2-(3-methylbutyl)-1,3-dioxane
InChI:
InChI=1S/C12H24O2/c1-10(2)6-7-12(5)13-8-11(3,4)9-14-12/h10H,6-9H2,1-5H3
InChI Key:
KJWBXOPQYZIDPU-UHFFFAOYSA-N
SMILES:
CC(CCC1(C)OCC(CO1)(C)C)C
EC Number:
236-270-3
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.178g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.322g/mol
Monoisotopic Mass:
200.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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