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117391-55-6 | Benzenepropanoic acid, β-amino-2,5-dimethyl-
CAS No: 117391-55-6 Catalog No: AG000E7R MDL No:MFCD01871307
Product Description
Catalog Number:
AG000E7R
Chemical Name:
Benzenepropanoic acid, β-amino-2,5-dimethyl-
CAS Number:
117391-55-6
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD01871307
IUPAC Name:
3-amino-3-(2,5-dimethylphenyl)propanoic acid
InChI:
InChI=1S/C11H15NO2/c1-7-3-4-8(2)9(5-7)10(12)6-11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)
InChI Key:
ORBDRZAPRLVKDA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C(CC(=O)O)N)C
Properties
Complexity:
206
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:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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