4-Octenedioic acid, (E)-


Chemical Name: 4-Octenedioic acid, (E)-
CAS Number: 48059-97-8
Product Number: AG003765(AGN-PC-0OASNO)
Synonyms:
MDL No:
Molecular Formula: C8H12O4
Molecular Weight: 172.1785

Identification/Properties


Properties
MP:
175-176 °C
BP:
373.11°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
172.18g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
172.074g/mol
Monoisotopic Mass:
172.074g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
164
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:
Warning
UN#:
-
Hazard Statements:
H302-H319-H412
Precautionary Statements:
P273-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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