Dapagliflozin Impurity 171

CAT: 1299-RM-D160871-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D160871-01Size:10 mg

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CAS Number

1573-17-7

Synonyms

But-2-yne-1,4-diyl diacetate

Molecular Formula

C8H10O4

Molecular Weight

170.16

Target Alternative Name

Dapagliflozin

Product Name Synonym

But-2-yne-1,4-diyl diacetate

Chemical Information

2-Butyne-1,4-diol, 1,4-diacetate

CAS Number	1573-17-7
PubChem CID	74081
IUPAC Name	4-acetyloxybut-2-ynyl acetate
Molecular Formula	C8H10O4
Molecular Weight	170.16
XLogP	0.1
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	208

SMILES

CC(=O)OCC#CCOC(=O)C

InChI

InChI=1S/C8H10O4/c1-7(9)11-5-3-4-6-12-8(2)10/h5-6H2,1-2H3

InChIKey

TVIMIQVBDDNCCR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1573-17-7

CID: 74081

Formula: C8H10O4

MW: 170.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.16
XLogP3	0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	170.05790880
Monoisotopic Mass	170.05790880
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	208
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

Catalog	Name
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TRC-D185365-10MG	Ent-a-C Dapagliflozin (Dapagliflozin Impurity)
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445784-01	Dapagliflozin Keto Impurity
A19103-10	Dapagliflozin impurity 10mg
A19103-2	Dapagliflozin impurity 2mg
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AR-D01152-01	Hydroxy-Dapagliflozin Impurity