D-erythro-Hex-2-enonic acid, g-lactone


Chemical Name: D-erythro-Hex-2-enonic acid, g-lactone
CAS Number: 89-65-6
Product Number: AG00IFJU(AGN-PC-0VPC2G)
Synonyms:
MDL No:
Molecular Formula: C6H8O6
Molecular Weight: 176.1241

Identification/Properties


Computed Properties
Molecular Weight:
176.124g/mol
XLogP3:
-1.6
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
176.032g/mol
Monoisotopic Mass:
176.032g/mol
Topological Polar Surface Area:
107A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
232
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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