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112475-07-7 | 4-Thiazolecarboxamide, 2-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-
CAS No: 112475-07-7 Catalog No: AG007AT1 MDL No:
Product Description
Catalog Number:
AG007AT1
Chemical Name:
4-Thiazolecarboxamide, 2-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-
CAS Number:
112475-07-7
Molecular Formula:
C8H12N2O4S
Molecular Weight:
232.2569
IUPAC Name:
2-(1,3-dihydroxypropan-2-yloxymethyl)-1,3-thiazole-4-carboxamide
InChI:
InChI=1S/C8H12N2O4S/c9-8(13)6-4-15-7(10-6)3-14-5(1-11)2-12/h4-5,11-12H,1-3H2,(H2,9,13)
InChI Key:
UCXWDXYIIUEWOW-UHFFFAOYSA-N
SMILES:
OCC(OCc1scc(n1)C(=O)N)CO
NSC Number:
373751
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
232.254g/mol
Monoisotopic Mass:
232.052g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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