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Home > Pyridines > 865076-08-0
865076-08-0 | 3-(2-Methyl-4-pyridinyl)-1,5-pentanediol
CAS No: 865076-08-0 Catalog No: AG01EXYZ MDL No:MFCD06637417
Product Description
Catalog Number:
AG01EXYZ
Chemical Name:
3-(2-Methyl-4-pyridinyl)-1,5-pentanediol
CAS Number:
865076-08-0
Molecular Formula:
C11H17NO2
Molecular Weight:
195.2582
MDL Number:
MFCD06637417
IUPAC Name:
3-(2-methylpyridin-4-yl)pentane-1,5-diol
InChI:
InChI=1S/C11H17NO2/c1-9-8-11(2-5-12-9)10(3-6-13)4-7-14/h2,5,8,10,13-14H,3-4,6-7H2,1H3
InChI Key:
OCWOXJZSQSGGIB-UHFFFAOYSA-N
SMILES:
OCCC(c1ccnc(c1)C)CCO
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.262g/mol
Monoisotopic Mass:
195.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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