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80503-44-2 | 3,4-Pyridinedimethanol, 5-(benzoyloxy)-6-methyl-
CAS No: 80503-44-2 Catalog No: AG00GJEH MDL No:
Product Description
Catalog Number:
AG00GJEH
Chemical Name:
3,4-Pyridinedimethanol, 5-(benzoyloxy)-6-methyl-
CAS Number:
80503-44-2
IUPAC Name:
[4,5-bis(hydroxymethyl)-2-methylpyridin-3-yl] benzoate
InChI:
InChI=1S/C15H15NO4/c1-10-14(13(9-18)12(8-17)7-16-10)20-15(19)11-5-3-2-4-6-11/h2-7,17-18H,8-9H2,1H3
InChI Key:
BLFFHRCQTXLMDE-UHFFFAOYSA-N
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.288g/mol
Monoisotopic Mass:
273.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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