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6-Methyl-3-pyridineethanol

CAT: 0572-TRC-M326800-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M326800-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
100189-17-1
Synonyms
6-Methyl-3-pyridineethanol; 3-Pyridineethanol, 6-methyl-; 6-Methyl-3-pyridineethanol; 2-(6-Methylpyridin-3-yl)ethan-1-ol; 2-(6-Methylpyridin-3-yl)ethanol
Hazard Statement
No Data Available
Smiles
Cc1ccc(CCO)cn1
Molecular Formula
C8 H11 N O
Molecular Weight
137.179
InChI
InChI=1S/C8H11NO/c1-7-2-3-8(4-5-10)6-9-7/h2-3,6,10H,4-5H2,1H3
Additionnal Information
IUPAC name: 2-(6-methylpyridin-3-yl)ethanol
Shipping Conditions
Room Temperature

Chemical Information

6-methyl-3-Pyridineethanol
CAS Number100189-17-1
PubChem CID13566816
IUPAC Name2-(6-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=NC=C(C=C1)CCO
InChI
InChI=1S/C8H11NO/c1-7-2-3-8(4-5-10)6-9-7/h2-3,6,10H,4-5H2,1H3
InChIKey
CRZJKFRQNPDUIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-methyl-3-Pyridineethanol
CAS: 100189-17-1
CID: 13566816
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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