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915920-17-1 | {[2-(ACETYLAMINO)PHENYL]THIO}ACETIC ACID
CAS No: 915920-17-1 Catalog No: AG006GLK MDL No:MFCD07432734
Product Description
Catalog Number:
AG006GLK
Chemical Name:
{[2-(ACETYLAMINO)PHENYL]THIO}ACETIC ACID
CAS Number:
915920-17-1
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
MDL Number:
MFCD07432734
IUPAC Name:
2-(2-acetamidophenyl)sulfanylacetic acid
InChI:
InChI=1S/C10H11NO3S/c1-7(12)11-8-4-2-3-5-9(8)15-6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChI Key:
JNBUZEDLPGRPFF-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1ccccc1NC(=O)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.262g/mol
Monoisotopic Mass:
225.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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