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141019-02-5 | Benzoic acid, 4-(4-aminobutyl)-, methyl ester
CAS No: 141019-02-5 Catalog No: AG001FQV MDL No:
Product Description
Catalog Number:
AG001FQV
Chemical Name:
Benzoic acid, 4-(4-aminobutyl)-, methyl ester
CAS Number:
141019-02-5
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
methyl 4-(4-aminobutyl)benzoate
InChI:
InChI=1S/C12H17NO2/c1-15-12(14)11-7-5-10(6-8-11)4-2-3-9-13/h5-8H,2-4,9,13H2,1H3
InChI Key:
USTMGHLYMCBVIS-UHFFFAOYSA-N
SMILES:
NCCCCc1ccc(cc1)C(=O)OC
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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