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Home > Other Building Blocks > 87973-58-8
87973-58-8 | 1,3-Dioxane, 2-butoxy-4,4-dimethyl-
CAS No: 87973-58-8 Catalog No: AG004LYA MDL No:
Product Description
Catalog Number:
AG004LYA
Chemical Name:
1,3-Dioxane, 2-butoxy-4,4-dimethyl-
CAS Number:
87973-58-8
Molecular Formula:
C10H20O3
Molecular Weight:
188.2640
IUPAC Name:
2-butoxy-4,4-dimethyl-1,3-dioxane
InChI:
InChI=1S/C10H20O3/c1-4-5-7-11-9-12-8-6-10(2,3)13-9/h9H,4-8H2,1-3H3
InChI Key:
AOKFBUVSWWJFEI-UHFFFAOYSA-N
SMILES:
CCCCOC1OCCC(O1)(C)C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.141g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.267g/mol
Monoisotopic Mass:
188.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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