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102582-87-6 | Acetic acid, (phenylsulfonyl)-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1) (9CI)
CAS No: 102582-87-6 Catalog No: AG0007TX MDL No:
Product Description
Catalog Number:
AG0007TX
Chemical Name:
Acetic acid, (phenylsulfonyl)-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1) (9CI)
CAS Number:
102582-87-6
Molecular Formula:
C14H23NO7S
Molecular Weight:
349.3999
IUPAC Name:
2-(benzenesulfonyl)acetic acid;2-[bis(2-hydroxyethyl)amino]ethanol
InChI:
InChI=1S/C8H8O4S.C6H15NO3/c9-8(10)6-13(11,12)7-4-2-1-3-5-7;8-4-1-7(2-5-9)3-6-10/h1-5H,6H2,(H,9,10);8-10H,1-6H2
InChI Key:
GXLCWKVYXZJTBW-UHFFFAOYSA-N
SMILES:
OC(=O)CS(=O)(=O)c1ccccc1.OCCN(CCO)CCO
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.12g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
349.398g/mol
Monoisotopic Mass:
349.12g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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