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117391-54-5 | Benzenepropanoic acid, β-amino-2,4-dimethyl-
CAS No: 117391-54-5 Catalog No: AG000E7S MDL No:MFCD01871306
Product Description
Catalog Number:
AG000E7S
Chemical Name:
Benzenepropanoic acid, β-amino-2,4-dimethyl-
CAS Number:
117391-54-5
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD01871306
IUPAC Name:
3-amino-3-(2,4-dimethylphenyl)propanoic acid
InChI:
InChI=1S/C11H15NO2/c1-7-3-4-9(8(2)5-7)10(12)6-11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)
InChI Key:
LRMMWNSBHJFPEE-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccc(cc1C)C)N
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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