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1024058-35-2 | OTAVA-BB 1368280
CAS No: 1024058-35-2 Catalog No: AG008VAS MDL No:MFCD26940363
Product Description
Catalog Number:
AG008VAS
Chemical Name:
OTAVA-BB 1368280
CAS Number:
1024058-35-2
Molecular Formula:
C8H8NNaO2S
Molecular Weight:
205.2094
MDL Number:
MFCD26940363
IUPAC Name:
4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylic acid
InChI:
InChI=1S/C8H9NO2S/c10-8(11)7-9-5-3-1-2-4-6(5)12-7/h1-4H2,(H,10,11)
InChI Key:
URJVHPYSDFTUKA-UHFFFAOYSA-N
SMILES:
[O-]C(=O)c1nc2c(s1)CCCC2.[Na+]
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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