2,4-Heptadien-1-ol, (2E,4E)-


Chemical Name: 2,4-Heptadien-1-ol, (2E,4E)-
CAS Number: 33467-79-7
Product Number: AG003QUJ(AGN-PC-0O919S)
Synonyms:
MDL No:
Molecular Formula: C7H12O
Molecular Weight: 112.1696

Identification/Properties


Properties
BP:
176.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
112.172g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
3
Exact Mass:
112.089g/mol
Monoisotopic Mass:
112.089g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
82.4
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H227-H315-H319
Precautionary Statements:
P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362-P370+P378-P403+P235-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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