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Phenylephrine Impurity 73

CAT: 1299-RM-P141273-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P141273-01Size:10 mg
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CAS Number
93202-93-8
Synonyms
1,2,3,4-tetrahydroisoquinoline-4,6-diol
Molecular Formula
C9H11NO2
Molecular Weight
165.19
Target Alternative Name
Phenylephrine
Product Name Synonym
1,2,3,4-tetrahydroisoquinoline-4,6-diol

Chemical Information

4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-
CAS Number93202-93-8
PubChem CID3022115
IUPAC Name1,2,3,4-tetrahydroisoquinoline-4,6-diol
Molecular FormulaC9H11NO2
Molecular Weight165.19
XLogP-0.1
Topological Polar Surface Area52.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity163
SMILES
C1C(C2=C(CN1)C=CC(=C2)O)O
InChI
InChI=1S/C9H11NO2/c11-7-2-1-6-4-10-5-9(12)8(6)3-7/h1-3,9-12H,4-5H2
InChIKey
LJRLBPHJWAJIOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-
CAS: 93202-93-8
CID: 3022115
Formula: C9H11NO2
MW: 165.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.19
XLogP3-0.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass165.078978594
Monoisotopic Mass165.078978594
Topological Polar Surface Area52.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity163
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

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