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123732-86-5 | Acetic acid, 2-[[2-[(1-methylethyl)phenylamino]-2-oxoethyl]sulfinyl]-
CAS No: 123732-86-5 Catalog No: AG000L19 MDL No:
Product Description
Catalog Number:
AG000L19
Chemical Name:
Acetic acid, 2-[[2-[(1-methylethyl)phenylamino]-2-oxoethyl]sulfinyl]-
CAS Number:
123732-86-5
Molecular Formula:
C13H17NO4S
Molecular Weight:
283.3434
IUPAC Name:
2-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfinylacetic acid
InChI:
InChI=1S/C13H17NO4S/c1-10(2)14(11-6-4-3-5-7-11)12(15)8-19(18)9-13(16)17/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChI Key:
XARDIGCYIKLRGE-UHFFFAOYSA-N
SMILES:
CC(N(c1ccccc1)C(=O)CS(=O)CC(=O)O)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.342g/mol
Monoisotopic Mass:
283.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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