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832732-67-9 | Benzoic acid, 2-amino-5-ethyl-, ethyl ester
CAS No: 832732-67-9 Catalog No: AG004TBA MDL No:
Product Description
Catalog Number:
AG004TBA
Chemical Name:
Benzoic acid, 2-amino-5-ethyl-, ethyl ester
CAS Number:
832732-67-9
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
ethyl 2-amino-5-ethylbenzoate
InChI:
InChI=1S/C11H15NO2/c1-3-8-5-6-10(12)9(7-8)11(13)14-4-2/h5-7H,3-4,12H2,1-2H3
InChI Key:
SWFOMPATDYDWPR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(CC)ccc1N
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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