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Home > Pyridines > 865074-50-6
865074-50-6 | 3-(3-Ethylpyridin-4-yl)pentane-1,5-diol
CAS No: 865074-50-6 Catalog No: AG01EXXE MDL No:
Product Description
Catalog Number:
AG01EXXE
Chemical Name:
3-(3-Ethylpyridin-4-yl)pentane-1,5-diol
CAS Number:
865074-50-6
Molecular Formula:
C12H19NO2
Molecular Weight:
209.2848
IUPAC Name:
3-(3-ethylpyridin-4-yl)pentane-1,5-diol
InChI:
InChI=1S/C12H19NO2/c1-2-10-9-13-6-3-12(10)11(4-7-14)5-8-15/h3,6,9,11,14-15H,2,4-5,7-8H2,1H3
InChI Key:
HYXNGGPDDBRXMQ-UHFFFAOYSA-N
SMILES:
OCCC(c1ccncc1CC)CCO
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.289g/mol
Monoisotopic Mass:
209.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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