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819863-02-0 | 1-Propanesulfonic acid, 3-[(2-hydroxy-2-phenylethyl)amino]-
CAS No: 819863-02-0 Catalog No: AG0054OF MDL No:
Product Description
Catalog Number:
AG0054OF
Chemical Name:
1-Propanesulfonic acid, 3-[(2-hydroxy-2-phenylethyl)amino]-
CAS Number:
819863-02-0
Molecular Formula:
C11H17NO4S
Molecular Weight:
259.3220
IUPAC Name:
3-[(2-hydroxy-2-phenylethyl)amino]propane-1-sulfonic acid
InChI:
InChI=1S/C11H17NO4S/c13-11(10-5-2-1-3-6-10)9-12-7-4-8-17(14,15)16/h1-3,5-6,11-13H,4,7-9H2,(H,14,15,16)
InChI Key:
IEWNTOSJJDICSG-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1)CNCCCS(=O)(=O)O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.088g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
259.32g/mol
Monoisotopic Mass:
259.088g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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