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93524-95-9 | 3-(Pyridin-4-yl)prop-2-yn-1-ol
CAS No: 93524-95-9 Catalog No: AG003I5D MDL No:MFCD00168868
Product Description
Catalog Number:
AG003I5D
Chemical Name:
3-(Pyridin-4-yl)prop-2-yn-1-ol
CAS Number:
93524-95-9
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
MDL Number:
MFCD00168868
IUPAC Name:
3-pyridin-4-ylprop-2-yn-1-ol
InChI:
InChI=1S/C8H7NO/c10-7-1-2-8-3-5-9-6-4-8/h3-6,10H,7H2
InChI Key:
QYFHTILWEGBMKR-UHFFFAOYSA-N
SMILES:
OCC#Cc1ccncc1
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
133.15g/mol
Monoisotopic Mass:
133.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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