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51133-90-5 | 1,3-BUTYLENE GLYCOL ACETAL
CAS No: 51133-90-5 Catalog No: AG00DS90 MDL No:
Product Description
Catalog Number:
AG00DS90
Chemical Name:
1,3-BUTYLENE GLYCOL ACETAL
CAS Number:
51133-90-5
IUPAC Name:
2,2-dimethyl-1,3-dioxane
InChI:
InChI=1S/C6H12O2/c1-6(2)7-4-3-5-8-6/h3-5H2,1-2H3
InChI Key:
RPLSBADGISFNSI-UHFFFAOYSA-N
NSC Number:
193331
Properties
Complexity:
70.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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