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102362-80-1 | 1-Propanesulfonic acid, 3-[(3-hydroxyphenyl)propylamino]-
CAS No: 102362-80-1 Catalog No: AG00079Y MDL No:
Product Description
Catalog Number:
AG00079Y
Chemical Name:
1-Propanesulfonic acid, 3-[(3-hydroxyphenyl)propylamino]-
CAS Number:
102362-80-1
Molecular Formula:
C12H19NO4S
Molecular Weight:
273.3486
IUPAC Name:
3-[3-(3-hydroxyphenyl)propylamino]propane-1-sulfonic acid
InChI:
InChI=1S/C12H19NO4S/c14-12-6-1-4-11(10-12)5-2-7-13-8-3-9-18(15,16)17/h1,4,6,10,13-14H,2-3,5,7-9H2,(H,15,16,17)
InChI Key:
WSLNVXRJYUTLAN-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)CCCNCCCS(=O)(=O)O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
273.347g/mol
Monoisotopic Mass:
273.103g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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