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15116-32-2 | Benzenebutanoic acid, 4-amino-, ethyl ester
CAS No: 15116-32-2 Catalog No: AG001N5N MDL No:MFCD11100566
Product Description
Catalog Number:
AG001N5N
Chemical Name:
Benzenebutanoic acid, 4-amino-, ethyl ester
CAS Number:
15116-32-2
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD11100566
IUPAC Name:
ethyl 4-(4-aminophenyl)butanoate
InChI:
InChI=1S/C12H17NO2/c1-2-15-12(14)5-3-4-10-6-8-11(13)9-7-10/h6-9H,2-5,13H2,1H3
InChI Key:
LQQLBFZHJXGMCR-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCc1ccc(cc1)N
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
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