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2-Picoline-3-ethanol

CAT: 0572-TRC-P437205-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P437205-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1977-05-5
Synonyms
2-Methyl-3-pyridineethanol; 3-(2-Hydroxyethyl)-2-methylpyridine; NSC 108775
Hazard Statement
No Data Available
Smiles
Cc1ncccc1CCO
Molecular Formula
C8H11NO
Molecular Weight
137.18
Shipping Conditions
Room Temperature

Chemical Information

2-(2-Methylpyridin-3-yl)ethan-1-ol
CAS Number1977-05-5
PubChem CID268518
IUPAC Name2-(2-methyl-3-pyridinyl)ethanol
Molecular FormulaC8H11NO
Molecular Weight137.18
XLogP0.8
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity95
SMILES
CC1=C(C=CC=N1)CCO
InChI
InChI=1S/C8H11NO/c1-7-8(4-6-10)3-2-5-9-7/h2-3,5,10H,4,6H2,1H3
InChIKey
MFPDJTXHKIFPNP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Methylpyridin-3-yl)ethan-1-ol
CAS: 1977-05-5
CID: 268518
Formula: C8H11NO
MW: 137.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.18
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass137.084063974
Monoisotopic Mass137.084063974
Topological Polar Surface Area33.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity95.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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