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20761-68-6 | 1,3-Dioxane-5-methanol, 5-ethyl-2,2-dimethyl-
CAS No: 20761-68-6 Catalog No: AG002J65 MDL No:
Product Description
Catalog Number:
AG002J65
Chemical Name:
1,3-Dioxane-5-methanol, 5-ethyl-2,2-dimethyl-
CAS Number:
20761-68-6
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
IUPAC Name:
(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol
InChI:
InChI=1S/C9H18O3/c1-4-9(5-10)6-11-8(2,3)12-7-9/h10H,4-7H2,1-3H3
InChI Key:
RUUJECRHYIYRSH-UHFFFAOYSA-N
SMILES:
CCC1(CO)COC(OC1)(C)C
EC Number:
606-629-2
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.24g/mol
Monoisotopic Mass:
174.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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