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116505-54-5 | Benzenebutanoic acid, 4-[(2-hydroxyethyl)amino]-, methyl ester
CAS No: 116505-54-5 Catalog No: AG000CNA MDL No:
Product Description
Catalog Number:
AG000CNA
Chemical Name:
Benzenebutanoic acid, 4-[(2-hydroxyethyl)amino]-, methyl ester
CAS Number:
116505-54-5
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
IUPAC Name:
methyl 4-[4-(2-hydroxyethylamino)phenyl]butanoate
InChI:
InChI=1S/C13H19NO3/c1-17-13(16)4-2-3-11-5-7-12(8-6-11)14-9-10-15/h5-8,14-15H,2-4,9-10H2,1H3
InChI Key:
FQDLDDJKOQNQFI-UHFFFAOYSA-N
SMILES:
OCCNc1ccc(cc1)CCCC(=O)OC
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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