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3-trans-Hydroxy Norcotinine

CAT: 0572-TRC-H948850-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H948850-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1292911-83-1
Hazard Statement
Fatal if swallowed; UN number: UN2811; Packing Group: II
Purity
>95% (HPLC)
Smiles
O[C@H]1CC(=O)N[C@@H]1c2cccnc2
Molecular Formula
C9 H10 N2 O2
Molecular Weight
178.19
InChI
InChI=1S/C9H10N2O2/c12-7-4-8(13)11-9(7)6-2-1-3-10-5-6/h1-3,5,7,9,12H,4H2,(H,11,13)/t7-,9+/m0/s1
Additionnal Information
IUPAC name: (4S,5R)-4-hydroxy-5-pyridin-3-ylpyrrolidin-2-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(3S,5R)-3-Hydroxy-5-(pyridin-3-yl)pyrrolidin-2-one
CAS Number1292911-83-1
PubChem CID51433541
IUPAC Name(3S,5R)-3-hydroxy-5-pyridin-3-ylpyrrolidin-2-one
Molecular FormulaC9H10N2O2
Molecular Weight178.19
XLogP-0.5
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity208
SMILES
C1[C@@H](NC(=O)[C@H]1O)C2=CN=CC=C2
InChI
InChI=1S/C9H10N2O2/c12-8-4-7(11-9(8)13)6-2-1-3-10-5-6/h1-3,5,7-8,12H,4H2,(H,11,13)/t7-,8+/m1/s1
InChIKey
FSKXGZNNGSEMFP-SFYZADRCSA-N
Chemical Structure
2D Structure
2D structure of (3S,5R)-3-Hydroxy-5-(pyridin-3-yl)pyrrolidin-2-one
CAS: 1292911-83-1
CID: 51433541
Formula: C9H10N2O2
MW: 178.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.19
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass178.074227566
Monoisotopic Mass178.074227566
Topological Polar Surface Area62.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity208
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS6107291-013-trans-Hydroxy Norcotinine
sc-4991563-trans-Hydroxy Norcotinine-13C4
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MBS6063734-01(R,S)-Norcotinine (5-(3-Pyridinyl)-2-pyrrolidinone)
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MBS6117197-01(R,S)-Norcotinine-pyridyl-d4 (5-(3-Pyridinyl)-2-pyrrolidinone-pyridyl-d4)
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