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1015056-89-9 | 2-Pyridinemethanol, 4-ethyl-3,5-dimethyl-, 2-acetate
CAS No: 1015056-89-9 Catalog No: AG0004NJ MDL No:
Product Description
Catalog Number:
AG0004NJ
Chemical Name:
2-Pyridinemethanol, 4-ethyl-3,5-dimethyl-, 2-acetate
CAS Number:
1015056-89-9
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
(4-ethyl-3,5-dimethylpyridin-2-yl)methyl acetate
InChI:
InChI=1S/C12H17NO2/c1-5-11-8(2)6-13-12(9(11)3)7-15-10(4)14/h6H,5,7H2,1-4H3
InChI Key:
NRMRYQVVJJSKSO-UHFFFAOYSA-N
SMILES:
CCc1c(C)cnc(c1C)COC(=O)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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