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121715-56-8 | 2-Benzofuranpropanoic acid, β-(aminomethyl)-5-methoxy-
CAS No: 121715-56-8 Catalog No: AG0015MU MDL No:
Product Description
Catalog Number:
AG0015MU
Chemical Name:
2-Benzofuranpropanoic acid, β-(aminomethyl)-5-methoxy-
CAS Number:
121715-56-8
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
IUPAC Name:
4-amino-3-(5-methoxy-1-benzofuran-2-yl)butanoic acid
InChI:
InChI=1S/C13H15NO4/c1-17-10-2-3-11-8(4-10)5-12(18-11)9(7-14)6-13(15)16/h2-5,9H,6-7,14H2,1H3,(H,15,16)
InChI Key:
GAGNHCLRQLUYCQ-UHFFFAOYSA-N
SMILES:
NCC(c1occ2c1ccc(c2)OC)CC(=O)O
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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