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288588-40-9 | Benzoic acid, 4-[[5-(aminomethyl)-2-pyridinyl]oxy]-, methyl ester
CAS No: 288588-40-9 Catalog No: AG002WUL MDL No:
Product Description
Catalog Number:
AG002WUL
Chemical Name:
Benzoic acid, 4-[[5-(aminomethyl)-2-pyridinyl]oxy]-, methyl ester
CAS Number:
288588-40-9
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
IUPAC Name:
methyl 4-[5-(aminomethyl)pyridin-2-yl]oxybenzoate
InChI:
InChI=1S/C14H14N2O3/c1-18-14(17)11-3-5-12(6-4-11)19-13-7-2-10(8-15)9-16-13/h2-7,9H,8,15H2,1H3
InChI Key:
SJIQYONLPHVICI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)Oc1ccc(cn1)CN
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.277g/mol
Monoisotopic Mass:
258.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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