1,4-Pentadien-3-ol


Chemical Name: 1,4-Pentadien-3-ol
CAS Number: 922-65-6
Product Number: AG0060HR(AGN-PC-0JL9JB)
Synonyms:
MDL No:
Molecular Formula: C5H8O
Molecular Weight: 84.1164

Identification/Properties


Properties
BP:
115.5°C
Storage:
2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.445(lit.)
Computed Properties
Molecular Weight:
84.118g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
84.058g/mol
Monoisotopic Mass:
84.058g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
49
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:
Danger
UN#:
1987
Hazard Statements:
H226-H302-H401-H412
Precautionary Statements:
P210-P233-P240-P241-P242-P243-P264-P270-P273-P280-P301+P312+P330-P303+P361+P353-P370+P378-P403+P235-P501
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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