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101079-70-3 | 1,4-Dioxane, 2,3,5-trimethyl-
CAS No: 101079-70-3 Catalog No: AG0003NT MDL No:
Product Description
Catalog Number:
AG0003NT
Chemical Name:
1,4-Dioxane, 2,3,5-trimethyl-
CAS Number:
101079-70-3
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
IUPAC Name:
2,3,5-trimethyl-1,4-dioxane
InChI:
InChI=1S/C7H14O2/c1-5-4-8-6(2)7(3)9-5/h5-7H,4H2,1-3H3
InChI Key:
PQTSMDHYVPOKLI-UHFFFAOYSA-N
SMILES:
CC1COC(C(O1)C)C
Properties
Complexity:
92.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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