Dexpanthenol Impurity 9; (±) -Pantolactone

CAT: 1299-RM-D161409-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D161409-01Size:10 mg

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CAS Number

79-50-5

Synonyms

3-hydroxy-4,4-dimethyldihydrofuran-2 (3H) -one

Molecular Formula

C6H10O3

Molecular Weight

130.14

Target Alternative Name

Dexpanthenol

Product Name Synonym

3-hydroxy-4,4-dimethyldihydrofuran-2 (3H) -one

Chemical Information

(+-)-Pantolactone

DL-Pantolactone is a gamma-lactone.

CAS Number	79-50-5
PubChem CID	989
IUPAC Name	3-hydroxy-4,4-dimethyloxolan-2-one
Molecular Formula	C6H10O3
Molecular Weight	130.14
XLogP	0.5
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	139

SMILES

CC1(COC(=O)C1O)C

InChI

InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3

InChIKey

SERHXTVXHNVDKA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 79-50-5

CID: 989

Formula: C6H10O3

MW: 130.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.14
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	130.062994177
Monoisotopic Mass	130.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	139
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-D161404-01	Dexpanthenol Impurity 4
RM-D161417-01	Dexpanthenol Impurity 17
RM-D161416-01	Dexpanthenol Impurity 16
RM-D161413-01	Dexpanthenol Impurity 13
RM-D161406-01	Dexpanthenol Impurity 6
RM-D161410-01	Dexpanthenol Impurity 10
RM-D161408-01	Dexpanthenol Impurity 8
RM-D161411-01	Dexpanthenol Impurity 11
RM-D161403-01	Dexpanthenol Impurity 3
RM-D161402-01	Dexpanthenol Lactone Impurity

Catalog	Name
AR-P01146-01	Dexpanthenol impurity E
AR-P01147-01	Dexpanthenol impurity F
AR-P01148-01	Dexpanthenol Impurity I
AR-P01149-01	Dexpanthenol impurity J
AR-D08016-01	Dexpanthenol Racemic Impurity
AR-P30271-01	Dexpanthenol Impurity 8
AR-P30273-01	Dexpanthenol Impurity 11
AR-P01145-01	Dexpanthenol impurity D
AR-D06029-01	Dexpanthenol EP Impurity D
KL-02-00871	Dexpanthenol EP Impurity C