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Home > Pyridines > 898561-63-2
898561-63-2 | 2-Propyn-1-ol,3-(5-methoxy-3-pyridinyl)-
CAS No: 898561-63-2 Catalog No: AG00IFUX MDL No:MFCD08457778
Product Description
Catalog Number:
AG00IFUX
Chemical Name:
2-Propyn-1-ol,3-(5-methoxy-3-pyridinyl)-
CAS Number:
898561-63-2
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD08457778
IUPAC Name:
3-(5-methoxypyridin-3-yl)prop-2-yn-1-ol
InChI:
InChI=1S/C9H9NO2/c1-12-9-5-8(3-2-4-11)6-10-7-9/h5-7,11H,4H2,1H3
InChI Key:
FSRHMNFOVSQJHP-UHFFFAOYSA-N
SMILES:
OCC#Cc1cncc(c1)OC
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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