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123298-28-2 | Alanine, N-(2,6-dimethylphenyl)-N-methoxy-, methyl ester
CAS No: 123298-28-2 Catalog No: AG000KB2 MDL No:
Product Description
Catalog Number:
AG000KB2
Chemical Name:
Alanine, N-(2,6-dimethylphenyl)-N-methoxy-, methyl ester
CAS Number:
123298-28-2
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
IUPAC Name:
methyl (2S)-2-(N-methoxy-2,6-dimethylanilino)propanoate
InChI:
InChI=1S/C13H19NO3/c1-9-7-6-8-10(2)12(9)14(17-5)11(3)13(15)16-4/h6-8,11H,1-5H3/t11-/m0/s1
InChI Key:
OABBFKUSJCCJFO-NSHDSACASA-N
SMILES:
CON(c1c(C)cccc1C)[C@H](C(=O)OC)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
237.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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