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29389-34-2 | 2-Benzothiazoleglyoxylicacid,alpha-oxime,(E)-(8CI)
CAS No: 29389-34-2 Catalog No: AG00BLLI MDL No:
Product Description
Catalog Number:
AG00BLLI
Chemical Name:
2-Benzothiazoleglyoxylicacid,alpha-oxime,(E)-(8CI)
CAS Number:
29389-34-2
IUPAC Name:
(2E)-2-(1,3-benzothiazol-2-yl)-2-hydroxyiminoacetic acid
InChI:
InChI=1S/C9H6N2O3S/c12-9(13)7(11-14)8-10-5-3-1-2-4-6(5)15-8/h1-4,14H,(H,12,13)/b11-7-
InChI Key:
XPRSAATUPMRXQM-XFFZJAGNSA-N
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
222.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.218g/mol
Monoisotopic Mass:
222.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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