1-Propanol, 3,3-diethoxy-


Chemical Name: 1-Propanol, 3,3-diethoxy-
CAS Number: 16777-87-0
Product Number: AG001XKZ(AGN-PC-0JMR59)
Synonyms:
MDL No: MFCD00074850
Molecular Formula: C7H16O3
Molecular Weight: 148.2001

Identification/Properties


Properties
BP:
190.1°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.421(lit.)
Computed Properties
Molecular Weight:
148.202g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
148.11g/mol
Monoisotopic Mass:
148.11g/mol
Topological Polar Surface Area:
38.7A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
59.9
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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