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Home > Pyridines > 1171923-31-1
1171923-31-1 | 2-Methoxy-6-(pyridin-3-ylmethoxymethyl)-benzoic acid methyl ester
CAS No: 1171923-31-1 Catalog No: AG00JS1Y MDL No:MFCD12546672
Product Description
Catalog Number:
AG00JS1Y
Chemical Name:
2-Methoxy-6-(pyridin-3-ylmethoxymethyl)-benzoic acid methyl ester
CAS Number:
1171923-31-1
Molecular Formula:
C16H17NO4
Molecular Weight:
287.3105
MDL Number:
MFCD12546672
IUPAC Name:
methyl 2-methoxy-6-(pyridin-3-ylmethoxymethyl)benzoate
InChI:
InChI=1S/C16H17NO4/c1-19-14-7-3-6-13(15(14)16(18)20-2)11-21-10-12-5-4-8-17-9-12/h3-9H,10-11H2,1-2H3
InChI Key:
ACUZHTYNAXUPJN-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(COCc2cccnc2)cccc1OC
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.315g/mol
Monoisotopic Mass:
287.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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