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4754-27-2 | 1-(Pyridin-3-yl)ethanol
CAS No: 4754-27-2 Catalog No: AG003HZJ MDL No:MFCD01691686
Product Description
Catalog Number:
AG003HZJ
Chemical Name:
1-(Pyridin-3-yl)ethanol
CAS Number:
4754-27-2
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD01691686
IUPAC Name:
1-pyridin-3-ylethanol
InChI:
InChI=1S/C7H9NO/c1-6(9)7-3-2-4-8-5-7/h2-6,9H,1H3
InChI Key:
QMDUEBURHKSKDG-UHFFFAOYSA-N
SMILES:
CC(c1cccnc1)O
EC Number:
225-280-3
NSC Number:
526489
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Synthesis of conolidine, a potent non-opioid analgesic for tonic and persistent pain. | Nature chemistry 20110601 |
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