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120003-77-2 | 2,5-Pyridinedimethanol, 4-methoxy-3-methyl-, 2-acetate
CAS No: 120003-77-2 Catalog No: AG000Q1V MDL No:
Product Description
Catalog Number:
AG000Q1V
Chemical Name:
2,5-Pyridinedimethanol, 4-methoxy-3-methyl-, 2-acetate
CAS Number:
120003-77-2
Molecular Formula:
C11H15NO4
Molecular Weight:
225.2411
IUPAC Name:
[5-(hydroxymethyl)-4-methoxy-3-methylpyridin-2-yl]methyl acetate
InChI:
InChI=1S/C11H15NO4/c1-7-10(6-16-8(2)14)12-4-9(5-13)11(7)15-3/h4,13H,5-6H2,1-3H3
InChI Key:
FNMCMPIACYABKB-UHFFFAOYSA-N
SMILES:
COc1c(CO)cnc(c1C)COC(=O)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.244g/mol
Monoisotopic Mass:
225.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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