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2517-43-3 | 1-Butanol, 3-methoxy-
CAS No: 2517-43-3 Catalog No: AG002QRB MDL No:MFCD00002931
Product Description
Catalog Number:
AG002QRB
Chemical Name:
1-Butanol, 3-methoxy-
CAS Number:
2517-43-3
Molecular Formula:
C5H12O2
Molecular Weight:
104.1476
MDL Number:
MFCD00002931
IUPAC Name:
3-methoxybutan-1-ol
InChI:
InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3
InChI Key:
JSGVZVOGOQILFM-UHFFFAOYSA-N
SMILES:
CC(OC)CCO
EC Number:
219-741-8
NSC Number:
65580
Properties
Complexity:
37.1
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:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Glass transition dynamics and boiling temperatures of molecular liquids and their isomers. | The journal of physical chemistry. B 20070329 |
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