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20845-48-1 | 1,3-Propanediol, 2-(hydroxymethyl)-2-(4-pyridinyl)-
CAS No: 20845-48-1 Catalog No: AG002JP7 MDL No:
Product Description
Catalog Number:
AG002JP7
Chemical Name:
1,3-Propanediol, 2-(hydroxymethyl)-2-(4-pyridinyl)-
CAS Number:
20845-48-1
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
IUPAC Name:
2-(hydroxymethyl)-2-pyridin-4-ylpropane-1,3-diol
InChI:
InChI=1S/C9H13NO3/c11-5-9(6-12,7-13)8-1-3-10-4-2-8/h1-4,11-13H,5-7H2
InChI Key:
HFVQSYMOYJUHHJ-UHFFFAOYSA-N
SMILES:
OCC(c1ccncc1)(CO)CO
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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