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179087-93-5 | 2-(4-((2,4-Dioxothiazolidin-5-yl)methyl)phenoxy)acetic acid
CAS No: 179087-93-5 Catalog No: AG0026RX MDL No:MFCD11113230
Product Description
Catalog Number:
AG0026RX
Chemical Name:
2-(4-((2,4-Dioxothiazolidin-5-yl)methyl)phenoxy)acetic acid
CAS Number:
179087-93-5
Molecular Formula:
C12H11NO5S
Molecular Weight:
281.2844
MDL Number:
MFCD11113230
IUPAC Name:
2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]acetic acid
InChI:
InChI=1S/C12H11NO5S/c14-10(15)6-18-8-3-1-7(2-4-8)5-9-11(16)13-12(17)19-9/h1-4,9H,5-6H2,(H,14,15)(H,13,16,17)
InChI Key:
SXAASESEPRXRTR-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)CC1SC(=O)NC1=O
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.036g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.282g/mol
Monoisotopic Mass:
281.036g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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