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26386-18-5 | Acetic acid, (3-methyl-4-oxo-2-thiazolidinylidene)-, (Z)- (9CI)
CAS No: 26386-18-5 Catalog No: AG002SZJ MDL No:MFCD20640719
Product Description
Catalog Number:
AG002SZJ
Chemical Name:
Acetic acid, (3-methyl-4-oxo-2-thiazolidinylidene)-, (Z)- (9CI)
CAS Number:
26386-18-5
Molecular Formula:
C6H7NO3S
Molecular Weight:
173.1897
MDL Number:
MFCD20640719
IUPAC Name:
2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetic acid
InChI:
InChI=1S/C6H7NO3S/c1-7-4(8)3-11-5(7)2-6(9)10/h2H,3H2,1H3,(H,9,10)
InChI Key:
ALNQRRSGSUDFFL-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/1\SCC(=O)N1C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.186g/mol
Monoisotopic Mass:
173.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.1
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