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169209-64-7 | Benzeneacetic acid, α-amino-α-methyl-4-sulfo-
CAS No: 169209-64-7 Catalog No: AG001YL4 MDL No:
Product Description
Catalog Number:
AG001YL4
Chemical Name:
Benzeneacetic acid, α-amino-α-methyl-4-sulfo-
CAS Number:
169209-64-7
Molecular Formula:
C9H11NO5S
Molecular Weight:
245.2523
IUPAC Name:
2-amino-2-(4-sulfophenyl)propanoic acid
InChI:
InChI=1S/C9H11NO5S/c1-9(10,8(11)12)6-2-4-7(5-3-6)16(13,14)15/h2-5H,10H2,1H3,(H,11,12)(H,13,14,15)
InChI Key:
MVDSFPIEJILRME-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(cc1)S(=O)(=O)O)(N)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
245.249g/mol
Monoisotopic Mass:
245.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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