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Home > Pyridines > 123016-77-3
123016-77-3 | 1,3-Propanediol, 1-(3-pyridinyl)-
CAS No: 123016-77-3 Catalog No: AG000JY1 MDL No:
Product Description
Catalog Number:
AG000JY1
Chemical Name:
1,3-Propanediol, 1-(3-pyridinyl)-
CAS Number:
123016-77-3
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
IUPAC Name:
1-pyridin-3-ylpropane-1,3-diol
InChI:
InChI=1S/C8H11NO2/c10-5-3-8(11)7-2-1-4-9-6-7/h1-2,4,6,8,10-11H,3,5H2
InChI Key:
XFFAGZSKGVYMBR-UHFFFAOYSA-N
SMILES:
OCCC(c1cccnc1)O
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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