Baloxavir Marboxil Impurity 102

CAT: 1299-RM-B011612-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B011612-01Size:10 mg

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CAS Number

1332855-94-3

Synonyms

Ethyl 3- (benzyloxy) -4-oxo-4H-pyran-2-carboxylate

Molecular Formula

C15H14O5

Molecular Weight

274.27

Target Alternative Name

Baloxavir Marboxil

Product Name Synonym

Ethyl 3- (benzyloxy) -4-oxo-4H-pyran-2-carboxylate

Chemical Information

Ethyl 3-(benzyloxy)-4-oxo-4H-pyran-2-carboxylate

CAS Number	1332855-94-3
PubChem CID	87688176
IUPAC Name	ethyl 4-oxo-3-phenylmethoxypyran-2-carboxylate
Molecular Formula	C15H14O5
Molecular Weight	274.27
XLogP	2.2
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	430

SMILES

CCOC(=O)C1=C(C(=O)C=CO1)OCC2=CC=CC=C2

InChI

InChI=1S/C15H14O5/c1-2-18-15(17)14-13(12(16)8-9-19-14)20-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3

InChIKey

QZWDHGOVQBRIFJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1332855-94-3

CID: 87688176

Formula: C15H14O5

MW: 274.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	274.27
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	274.08412354
Monoisotopic Mass	274.08412354
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	430
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
RM-B011511-01	Baloxavir Marboxil Impurity 11 (Baloxavir Marboxil Enantiomer)
RM-B011538-01	Baloxavir Marboxil Impurity 29
RM-B011527-01	Baloxavir Marboxil Impurity 18
RM-B011562-01	Baloxavir Marboxil Impurity 52
RM-B011561-01	Baloxavir Marboxil Impurity 51
RM-B011546-01	Baloxavir Marboxil Impurity 37
RM-B011548-01	Baloxavir Marboxil Impurity 39
RM-B011547-01	Baloxavir Marboxil Impurity 38
RM-B011512-01	Baloxavir Marboxil Impurity 12
RM-B011540-01	Baloxavir Marboxil Impurity 31

Catalog	Name
AR-B05938-01	Baloxavir Marboxil Impurity 7
AR-B05961-01	Baloxavir Marboxil Impurity 38
AR-B05969-01	Baloxavir Marboxil Impurity 46
AR-B05946-01	Baloxavir Marboxil Impurity 19
AR-B05973-01	Baloxavir Marboxil Impurity 50
AR-B05940-01	Baloxavir Marboxil Impurity 10
AR-B05935-01	Baloxavir Marboxil Impurity 2
AR-B05968-01	Baloxavir Marboxil Impurity 45
AR-B05981-01	Baloxavir Marboxil Impurity 58
AR-B05978-01	Baloxavir Marboxil Impurity 55