Empagliflozin Impurity 144

CAT: 1299-RM-E131744-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E131744-01Size:10 mg

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CAS Number

19444-84-9

Synonyms

3-hydroxydihydrofuran-2 (3H) -one

Molecular Formula

C4H6O3

Molecular Weight

102.09

Target Alternative Name

Empagliflozin

Product Name Synonym

3-hydroxydihydrofuran-2 (3H) -one

Chemical Information

alpha-Hydroxy-gamma-butyrolactone

structure in first source

CAS Number	19444-84-9
PubChem CID	545831
IUPAC Name	3-hydroxyoxolan-2-one
Molecular Formula	C4H6O3
Molecular Weight	102.09
XLogP	-0.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	88

SMILES

C1COC(=O)C1O

InChI

InChI=1S/C4H6O3/c5-3-1-2-7-4(3)6/h3,5H,1-2H2

InChIKey

FWIBCWKHNZBDLS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19444-84-9

CID: 545831

Formula: C4H6O3

MW: 102.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	102.09
XLogP3	-0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	102.031694049
Monoisotopic Mass	102.031694049
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	88.9
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