Pyridoxine Impurity 13

CAT: 1299-RM-P685913-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P685913-01Size:10 mg

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CAS Number

1122-72-1

Synonyms

6-methylpicolinaldehyde

Molecular Formula

C7H7NO

Molecular Weight

121.14

Target Alternative Name

Pyridoxine

Product Name Synonym

6-methylpicolinaldehyde

Chemical Information

6-Methyl-2-pyridinecarboxaldehyde

C22H22N4; structure in first source

CAS Number	1122-72-1
PubChem CID	70737
IUPAC Name	6-methylpyridine-2-carbaldehyde
Molecular Formula	C7H7NO
Molecular Weight	121.14
XLogP	1
Topological Polar Surface Area	30
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	103

SMILES

CC1=NC(=CC=C1)C=O

InChI

InChI=1S/C7H7NO/c1-6-3-2-4-7(5-9)8-6/h2-5H,1H3

InChIKey

AHISYUZBWDSPQL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1122-72-1

CID: 70737

Formula: C7H7NO

MW: 121.14

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	121.14
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	121.052763847
Monoisotopic Mass	121.052763847
Topological Polar Surface Area	30 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	103
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