Heptenal, (E)-


Chemical Name: Heptenal, (E)-
CAS Number: 18829-55-5
Product Number: AG002GT2(AGN-PC-0O5RCJ)
Synonyms:
MDL No:
Molecular Formula: C7H12O
Molecular Weight: 112.1696

Identification/Properties


Properties
MP:
-53.35°C (estimate)
BP:
165.999 °C at 760 mmHg
Storage:
2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.450(lit.)
Computed Properties
Molecular Weight:
112.172g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
4
Exact Mass:
112.089g/mol
Monoisotopic Mass:
112.089g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
74.5
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
1988
Hazard Statements:
H226-H302+H332-H311-H317
Precautionary Statements:
P280-P312
Class:
3,6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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