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117391-52-3 | Benzenepropanoic acid, β-amino-4-ethyl-
CAS No: 117391-52-3 Catalog No: AG000E7U MDL No:MFCD01990387
Product Description
Catalog Number:
AG000E7U
Chemical Name:
Benzenepropanoic acid, β-amino-4-ethyl-
CAS Number:
117391-52-3
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD01990387
IUPAC Name:
3-amino-3-(4-ethylphenyl)propanoic acid
InChI:
InChI=1S/C11H15NO2/c1-2-8-3-5-9(6-4-8)10(12)7-11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)
InChI Key:
CZOSHSPOVINZEF-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C(CC(=O)O)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:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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