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6976-75-6 | 1,3-Dioxane,5,5-dimethyl-2-(6-methyl-3-cyclohexen-1-yl)-
CAS No: 6976-75-6 Catalog No: AG005I0F MDL No:
Product Description
Catalog Number:
AG005I0F
Chemical Name:
1,3-Dioxane,5,5-dimethyl-2-(6-methyl-3-cyclohexen-1-yl)-
CAS Number:
6976-75-6
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
5,5-dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane
InChI:
InChI=1S/C13H22O2/c1-10-6-4-5-7-11(10)12-14-8-13(2,3)9-15-12/h4-5,10-12H,6-9H2,1-3H3
InChI Key:
GEVSVFAZIUJFHZ-UHFFFAOYSA-N
SMILES:
CC1CC=CCC1C1OCC(CO1)(C)C
NSC Number:
24789
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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