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


Chemical Name: 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R,4S,5R)-
CAS Number: 138-59-0
Product Number: AG0017SZ(AGN-PC-0O1LGJ)
Synonyms:
MDL No:
Molecular Formula: C7H10O5
Molecular Weight: 174.1513

Identification/Properties


Computed Properties
Molecular Weight:
174.152g/mol
XLogP3:
-1.7
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
174.053g/mol
Monoisotopic Mass:
174.053g/mol
Topological Polar Surface Area:
98A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
222
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
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:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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