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16623-25-9 | Benzenepropanoic acid, 3-amino-α-ethyl-
CAS No: 16623-25-9 Catalog No: AG001WLT MDL No:
Product Description
Catalog Number:
AG001WLT
Chemical Name:
Benzenepropanoic acid, 3-amino-α-ethyl-
CAS Number:
16623-25-9
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
2-[(3-aminophenyl)methyl]butanoic acid
InChI:
InChI=1S/C11H15NO2/c1-2-9(11(13)14)6-8-4-3-5-10(12)7-8/h3-5,7,9H,2,6,12H2,1H3,(H,13,14)
InChI Key:
ZRRVWPUAOKIETO-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)Cc1cccc(c1)N
EC Number:
240-671-9
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:
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:
1.9
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