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20244-18-2 | Alanine, 3-sulfo-, hydrochloride (8CI,9CI)
CAS No: 20244-18-2 Catalog No: AG002881 MDL No:
Product Description
Catalog Number:
AG002881
Chemical Name:
Alanine, 3-sulfo-, hydrochloride (8CI,9CI)
CAS Number:
20244-18-2
Molecular Formula:
C3H8ClNO5S
Molecular Weight:
205.6173
IUPAC Name:
(2R)-2-amino-3-sulfopropanoic acid;hydrochloride
InChI:
InChI=1S/C3H7NO5S.ClH/c4-2(3(5)6)1-10(7,8)9;/h2H,1,4H2,(H,5,6)(H,7,8,9);1H/t2-;/m0./s1
InChI Key:
LBIYAQPKMGMWEY-DKWTVANSSA-N
SMILES:
OC(=O)[C@H](CS(=O)(=O)O)N.Cl
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
204.981g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
205.609g/mol
Monoisotopic Mass:
204.981g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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