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102507-85-7 | 4-Thiazoleacetic acid, 2-amino-α-[(1-carboxy-1-methylethoxy)imino]-, (αZ)-
CAS No: 102507-85-7 Catalog No: AG0007M1 MDL No:MFCD07782116
Product Description
Catalog Number:
AG0007M1
Chemical Name:
4-Thiazoleacetic acid, 2-amino-α-[(1-carboxy-1-methylethoxy)imino]-, (αZ)-
CAS Number:
102507-85-7
Molecular Formula:
C9H11N3O5S
Molecular Weight:
273.2657
MDL Number:
MFCD07782116
IUPAC Name:
2-[(Z)-[(2-amino-1,3-thiazol-4-yl)-carboxymethylidene]amino]oxy-2-methylpropanoic acid
InChI:
InChI=1S/C9H11N3O5S/c1-9(2,7(15)16)17-12-5(6(13)14)4-3-18-8(10)11-4/h3H,1-2H3,(H2,10,11)(H,13,14)(H,15,16)/b12-5-
InChI Key:
VNCBMEHASYISTH-XGICHPGQSA-N
SMILES:
OC(=O)/C(=N\OC(C(=O)O)(C)C)/c1csc(n1)N
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
273.042g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
273.263g/mol
Monoisotopic Mass:
273.042g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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