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82543-48-4 | Glycine, N-(carboxymethyl)-N-(3,5-dimethylphenyl)-
CAS No: 82543-48-4 Catalog No: AG004Z63 MDL No:
Product Description
Catalog Number:
AG004Z63
Chemical Name:
Glycine, N-(carboxymethyl)-N-(3,5-dimethylphenyl)-
CAS Number:
82543-48-4
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
2-[N-(carboxymethyl)-3,5-dimethylanilino]acetic acid
InChI:
InChI=1S/C12H15NO4/c1-8-3-9(2)5-10(4-8)13(6-11(14)15)7-12(16)17/h3-5H,6-7H2,1-2H3,(H,14,15)(H,16,17)
InChI Key:
IVMJSWWXTQKQNL-UHFFFAOYSA-N
SMILES:
OC(=O)CN(c1cc(C)cc(c1)C)CC(=O)O
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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