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92340-65-3 | N-(6-Methoxy-benzothiazol-2-yl)-succinamic acid
CAS No: 92340-65-3 Catalog No: AG01F9Y4 MDL No:
Product Description
Catalog Number:
AG01F9Y4
Chemical Name:
N-(6-Methoxy-benzothiazol-2-yl)-succinamic acid
CAS Number:
92340-65-3
Molecular Formula:
C12H12N2O4S
Molecular Weight:
280.2997
IUPAC Name:
4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid
InChI:
InChI=1S/C12H12N2O4S/c1-18-7-2-3-8-9(6-7)19-12(13-8)14-10(15)4-5-11(16)17/h2-3,6H,4-5H2,1H3,(H,16,17)(H,13,14,15)
InChI Key:
GMYHIQLHBHMJEP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(n2)NC(=O)CCC(=O)O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.052g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.298g/mol
Monoisotopic Mass:
280.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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