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Pyridoxal hydrochloride

CAT: 0926-FP31539-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-FP31539-01Size:50 g
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CAS Number
65-22-5
Synonyms
3-Hydroxy-5- (hydroxymethyl) -2-methyl-4-pyridinecarboxaldehyde hydrochloride
MDL Number
MFCD00012809
Smiles
CC1=NC=C (C (=C1O) C=O) CO.Cl
Molecular Formula
C8H9NO3·HCl
Molecular Weight
203.62 g/mol
Controlled
No

Chemical Information

Pyridoxal hydrochloride

Pyridoxal hydrochloride is a hydrochloride obtained by combining pyridoxal with one molar equivalent of hydrochloric acid. It has a role as a cofactor, a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a vitamin B6, a hydrochloride and a pyridinium salt. It contains a pyridoxal(1+).

CAS Number65-22-5
PubChem CID6171
IUPAC Name3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride
Molecular FormulaC8H10ClNO3
Molecular Weight203.62
Topological Polar Surface Area70.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity162
SMILES
CC1=NC=C(C(=C1O)C=O)CO.Cl
InChI
InChI=1S/C8H9NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,4,10,12H,3H2,1H3;1H
InChIKey
FCHXJFJNDJXENQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyridoxal hydrochloride
CAS: 65-22-5
CID: 6171
Formula: C8H10ClNO3
MW: 203.62
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight203.62
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass203.0349209
Monoisotopic Mass203.0349209
Topological Polar Surface Area70.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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