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16665-37-5 | 2-Pyridinemethanol, 4-methoxy-, 2-acetate
CAS No: 16665-37-5 Catalog No: AG001WV4 MDL No:
Product Description
Catalog Number:
AG001WV4
Chemical Name:
2-Pyridinemethanol, 4-methoxy-, 2-acetate
CAS Number:
16665-37-5
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
(4-methoxypyridin-2-yl)methyl acetate
InChI:
InChI=1S/C9H11NO3/c1-7(11)13-6-8-5-9(12-2)3-4-10-8/h3-5H,6H2,1-2H3
InChI Key:
WFCRVEDHQYCQAL-UHFFFAOYSA-N
SMILES:
COc1ccnc(c1)COC(=O)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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