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Carteolol HCl EP Impurity C

CAT: 1596-AR-C01527-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C01527-01Size:10 Units
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CAS Number
51781-14-7
Synonyms
5- (oxiran-2-ylmethoxy) -3,4-dihydroquinolin-2 (1H) -one
Molecular Formula
C12H13NO3
Molecular Weight
219.24
API Name
Carteolol

Chemical Information

5-(2,3-Epoxypropoxy)-3,4-dihydrocarbostyril
CAS Number51781-14-7
PubChem CID12899423
IUPAC Name5-(oxiran-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
Molecular FormulaC12H13NO3
Molecular Weight219.24
XLogP0.7
Topological Polar Surface Area50.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity281
SMILES
C1CC(=O)NC2=C1C(=CC=C2)OCC3CO3
InChI
InChI=1S/C12H13NO3/c14-12-5-4-9-10(13-12)2-1-3-11(9)16-7-8-6-15-8/h1-3,8H,4-7H2,(H,13,14)
InChIKey
VQTWQOBNPISQPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2,3-Epoxypropoxy)-3,4-dihydrocarbostyril
CAS: 51781-14-7
CID: 12899423
Formula: C12H13NO3
MW: 219.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.24
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass219.08954328
Monoisotopic Mass219.08954328
Topological Polar Surface Area50.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

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AR-C01522-01Carteolol HCl EP Impurity F
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AR-C06381-01N-Nitroso Carteolol HCl EP Impurity H
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RM-C012323-01Carteolol Impurity 23
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