Procaterol Impurity 2

CAT: 1299-RM-P032002-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P032002-01Size:10 mg

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CAS Number

15450-76-7

Synonyms

Quinoline-2,8-diol/8-hydroxyquinolin-2 (1H) -one

Molecular Formula

C9H7NO2

Molecular Weight

161.16

Target Alternative Name

Procaterol

Product Name Synonym

Quinoline-2,8-diol/8-hydroxyquinolin-2 (1H) -one

Chemical Information

8-hydroxyquinolin-2(1H)-one

Quinoline-2,8-diol is a dihydroxyquinoline. It is a tautomer of an 8-hydroxyquinolin-2(1H)-one.

CAS Number	15450-76-7
PubChem CID	97250
IUPAC Name	8-hydroxy-1H-quinolin-2-one
Molecular Formula	C9H7NO2
Molecular Weight	161.16
XLogP	1
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	225

SMILES

C1=CC2=C(C(=C1)O)NC(=O)C=C2

InChI

InChI=1S/C9H7NO2/c11-7-3-1-2-6-4-5-8(12)10-9(6)7/h1-5,11H,(H,10,12)

InChIKey

ZXZKYYHTWHJHFT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15450-76-7

CID: 97250

Formula: C9H7NO2

MW: 161.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	161.16
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	161.047678466
Monoisotopic Mass	161.047678466
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	225
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