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2- (Hydroxymethyl) -2-nitroso-1,3-propanediol

CAT: 1299-RG-M200911-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-M200911-01Size:10 mg
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CAS Number
1262147-73-8
Synonyms
2- (hydroxymethyl) -2-nitrosopropane-1,3-diol
Molecular Formula
C4H9NO4
Molecular Weight
135.12
Product Name Synonym
2- (hydroxymethyl) -2-nitrosopropane-1,3-diol

Chemical Information

2-(Hydroxymethyl)-2-nitrosopropane-1,3-diol
CAS Number1262147-73-8
PubChem CID89391365
IUPAC Name2-(hydroxymethyl)-2-nitrosopropane-1,3-diol
Molecular FormulaC4H9NO4
Molecular Weight135.12
XLogP-2.6
Topological Polar Surface Area90.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity82
SMILES
C(C(CO)(CO)N=O)O
InChI
InChI=1S/C4H9NO4/c6-1-4(2-7,3-8)5-9/h6-8H,1-3H2
InChIKey
FNXHLOLSBNDUTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Hydroxymethyl)-2-nitrosopropane-1,3-diol
CAS: 1262147-73-8
CID: 89391365
Formula: C4H9NO4
MW: 135.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight135.12
XLogP3-2.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass135.05315777
Monoisotopic Mass135.05315777
Topological Polar Surface Area90.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity82.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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