Pyridoxine Impurity 21

CAT: 1596-AR-P33392-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P33392-01Size:10 Units

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CAS Number

53580-89-5

Molecular Formula

C10H15NO3

Molecular Weight

197.23

API Name

Pyridoxine

Chemical Information

4-(Ethoxymethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol

CAS Number	53580-89-5
PubChem CID	12450874
IUPAC Name	4-(ethoxymethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
Molecular Formula	C10H15NO3
Molecular Weight	197.23
XLogP	-0.5
Topological Polar Surface Area	62.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	165

SMILES

CCOCC1=C(C(=NC=C1CO)C)O

InChI

InChI=1S/C10H15NO3/c1-3-14-6-9-8(5-12)4-11-7(2)10(9)13/h4,12-13H,3,5-6H2,1-2H3

InChIKey

ZAOHFKHXOHVDQJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53580-89-5

CID: 12450874

Formula: C10H15NO3

MW: 197.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.23
XLogP3	-0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	197.10519334
Monoisotopic Mass	197.10519334
Topological Polar Surface Area	62.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	165
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes