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111-32-0 | 4-Methoxybutan-1-ol
CAS No: 111-32-0 Catalog No: AG003DN9 MDL No:MFCD00040437
Product Description
Catalog Number:
AG003DN9
Chemical Name:
4-Methoxybutan-1-ol
CAS Number:
111-32-0
Molecular Formula:
C5H12O2
Molecular Weight:
104.1476
MDL Number:
MFCD00040437
IUPAC Name:
4-methoxybutan-1-ol
InChI:
InChI=1S/C5H12O2/c1-7-5-3-2-4-6/h6H,2-5H2,1H3
InChI Key:
KOVAQMSVARJMPH-UHFFFAOYSA-N
SMILES:
COCCCCO
EC Number:
203-858-6
NSC Number:
245191
Properties
Complexity:
29.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.084g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
104.149g/mol
Monoisotopic Mass:
104.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Brominated compounds from marine sponges of the genus Aplysina and a compilation of their 13C NMR spectral data. | Marine drugs 20110101 |
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