Home Other Building Blocks 2-Propanol, 1-ethoxy-

2-Propanol, 1-ethoxy-

CAS No.:
1569-02-4
Catalog Number:
AG001P2Z
Molecular Formula:
C5H12O2
Molecular Weight:
104.1476
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Product Description
Catalog Number:
AG001P2Z
Chemical Name:
2-Propanol, 1-ethoxy-
CAS Number:
1569-02-4
Molecular Formula:
C5H12O2
Molecular Weight:
104.1476
MDL Number:
MFCD00067050
IUPAC Name:
1-ethoxypropan-2-ol
InChI:
InChI=1S/C5H12O2/c1-3-7-4-5(2)6/h5-6H,3-4H2,1-2H3
InChI Key:
JOLQKTGDSGKSKJ-UHFFFAOYSA-N
SMILES:
CCOCC(O)C
EC Number:
216-374-5
NSC Number:
2404
RTECS Number:
UB5250000
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
Comparison of experimentally determined and mathematically predicted percutaneous penetration rates of chemicals. Archives of toxicology 20120301
Properties