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119932-34-2 | Benzoic acid, 4-(2-aminoethoxy)-, ethyl ester
CAS No: 119932-34-2 Catalog No: AG000PVB MDL No:
Product Description
Catalog Number:
AG000PVB
Chemical Name:
Benzoic acid, 4-(2-aminoethoxy)-, ethyl ester
CAS Number:
119932-34-2
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
ethyl 4-(2-aminoethoxy)benzoate
InChI:
InChI=1S/C11H15NO3/c1-2-14-11(13)9-3-5-10(6-4-9)15-8-7-12/h3-6H,2,7-8,12H2,1H3
InChI Key:
GSMQSCQEUUXRDE-UHFFFAOYSA-N
SMILES:
NCCOc1ccc(cc1)C(=O)OCC
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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