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113391-85-8 | 1,4-Dioxan-2-ol, 2-methyl-
CAS No: 113391-85-8 Catalog No: AG0008EL MDL No:
Product Description
Catalog Number:
AG0008EL
Chemical Name:
1,4-Dioxan-2-ol, 2-methyl-
CAS Number:
113391-85-8
Molecular Formula:
C5H10O3
Molecular Weight:
118.1311
IUPAC Name:
2-methyl-1,4-dioxan-2-ol
InChI:
InChI=1S/C5H10O3/c1-5(6)4-7-2-3-8-5/h6H,2-4H2,1H3
InChI Key:
SIBNFIMYQHFQDU-UHFFFAOYSA-N
SMILES:
CC1(O)COCCO1
Properties
Complexity:
83.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
118.132g/mol
Monoisotopic Mass:
118.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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