1-Cyclohexene-1-carboxylic acid, 4,5-dihydroxy-3-oxo-, (4S,5R)-


Chemical Name: 1-Cyclohexene-1-carboxylic acid, 4,5-dihydroxy-3-oxo-, (4S,5R)-
CAS Number: 2922-42-1
Product Number: AG002XRP(AGN-PC-0O8NP8)
Synonyms:
MDL No:
Molecular Formula: C7H8O5
Molecular Weight: 172.1354

Identification/Properties


Properties
MP:
133-135ºC
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
172.136g/mol
XLogP3:
-1.4
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
172.037g/mol
Monoisotopic Mass:
172.037g/mol
Topological Polar Surface Area:
94.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
255
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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


NMR Spectrum


Other Analytical Data


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