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4461-87-4 | 1,1-dimethoxybutane
CAS No: 4461-87-4 Catalog No: AG003D8M MDL No:MFCD22199804
Product Description
Catalog Number:
AG003D8M
Chemical Name:
1,1-dimethoxybutane
CAS Number:
4461-87-4
Molecular Formula:
C6H14O2
Molecular Weight:
118.1742
MDL Number:
MFCD22199804
IUPAC Name:
1,1-dimethoxybutane
InChI:
InChI=1S/C6H14O2/c1-4-5-6(7-2)8-3/h6H,4-5H2,1-3H3
InChI Key:
DZKUKLGGGNLHNY-UHFFFAOYSA-N
SMILES:
CCCC(OC)OC
Properties
Complexity:
41.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.099g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.176g/mol
Monoisotopic Mass:
118.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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