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10143-66-5 | Butane, 1,3-dimethoxy-
CAS No: 10143-66-5 Catalog No: AG0004HP MDL No:
Product Description
Catalog Number:
AG0004HP
Chemical Name:
Butane, 1,3-dimethoxy-
CAS Number:
10143-66-5
Molecular Formula:
C6H14O2
Molecular Weight:
118.1742
IUPAC Name:
1,3-dimethoxybutane
InChI:
InChI=1S/C6H14O2/c1-6(8-3)4-5-7-2/h6H,4-5H2,1-3H3
InChI Key:
JCRQEORWPZVZJP-UHFFFAOYSA-N
SMILES:
COCCC(OC)C
Properties
Complexity:
45.8
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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