Procaterol Impurity 3

CAT: 1299-RM-P032003-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P032003-02Size:25 mg

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CAS Number

15450-72-3

Synonyms

2-oxo-1,2-dihydroquinolin-8-yl acetate

Molecular Formula

C11H9NO3

Molecular Weight

203.19

Target Alternative Name

Procaterol

Product Name Synonym

2-oxo-1,2-dihydroquinolin-8-yl acetate

Chemical Information

2-Oxo-1,2-dihydroquinolin-8-yl acetate

CAS Number	15450-72-3
PubChem CID	268240
IUPAC Name	(2-oxo-1H-quinolin-8-yl) acetate
Molecular Formula	C11H9NO3
Molecular Weight	203.19
XLogP	1.1
Topological Polar Surface Area	55.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	311

SMILES

CC(=O)OC1=CC=CC2=C1NC(=O)C=C2

InChI

InChI=1S/C11H9NO3/c1-7(13)15-9-4-2-3-8-5-6-10(14)12-11(8)9/h2-6H,1H3,(H,12,14)

InChIKey

UTMRKCQYCLEKDL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15450-72-3

CID: 268240

Formula: C11H9NO3

MW: 203.19

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	203.19
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	203.058243149
Monoisotopic Mass	203.058243149
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	311
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