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13344-00-8 | 1,4-DIETHOXYBUTANE
CAS No: 13344-00-8 Catalog No: AG003DO9 MDL No:
Product Description
Catalog Number:
AG003DO9
Chemical Name:
1,4-DIETHOXYBUTANE
CAS Number:
13344-00-8
IUPAC Name:
1,4-diethoxybutane
InChI:
InChI=1S/C8H18O2/c1-3-9-7-5-6-8-10-4-2/h3-8H2,1-2H3
InChI Key:
IIHAWQOFHTYWGM-UHFFFAOYSA-N
EC Number:
603-743-4
NSC Number:
30234
Properties
Complexity:
47.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.131g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.23g/mol
Monoisotopic Mass:
146.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Short-term oral toxicity of pentyl ether, 1,4-diethoxybutane, and 1,6-dimethoxyhexane in male rats. | Toxicological sciences : an official journal of the Society of Toxicology 20040101 |
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