Compound Summary for: CID 6286

Molecular Formula: C3H5NaO3   Molecular Weight: 112.059769   InChIKey: NGSFWBMYFKHRBD-UHFFFAOYSA-M
Compound Information
CID 6286
Create Date: 2005-06-01
Suppressed Compound
Properties and Descriptors
Properties
Molecular Weight 112.059769 [g/mol]
Molecular FormulaC3H5NaO3
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count0
Exact Mass112.013638
MonoIsotopic Mass112.013638
Topological Polar Surface Area60.4
Heavy Atom Count7
Formal Charge0
Complexity53.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Descriptors
IUPAC Namesodium;2-hydroxypropanoate
InChIInChI=1S/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1
InChIKeyNGSFWBMYFKHRBD-UHFFFAOYSA-M
Canonical SMILESCC(C(=O)[O-])O.[Na+]
Isomeric SMILESCC(C(=O)[O-])O.[Na+]
Old Version Substance Information