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15741-66-9 | 3,4-Pyridinedimethanol, 5-hydroxy-6-(1-methylethyl)-
CAS No: 15741-66-9 Catalog No: AG001PFW MDL No:
Product Description
Catalog Number:
AG001PFW
Chemical Name:
3,4-Pyridinedimethanol, 5-hydroxy-6-(1-methylethyl)-
CAS Number:
15741-66-9
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
IUPAC Name:
4,5-bis(hydroxymethyl)-2-propan-2-ylpyridin-3-ol
InChI:
InChI=1S/C10H15NO3/c1-6(2)9-10(14)8(5-13)7(4-12)3-11-9/h3,6,12-14H,4-5H2,1-2H3
InChI Key:
TURHFJOKOFXVQK-UHFFFAOYSA-N
SMILES:
OCc1c(CO)cnc(c1O)C(C)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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