Home Carboxys 2-sulfanyl-1,3-benzoxazole-6-carboxylic acid

2-sulfanyl-1,3-benzoxazole-6-carboxylic acid

CAS No.:
108085-62-7
Catalog Number:
AG01AJG0
Molecular Formula:
C8H5NO3S
Molecular Weight:
195.1952
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Product Description
Catalog Number:
AG01AJG0
Chemical Name:
2-sulfanyl-1,3-benzoxazole-6-carboxylic acid
CAS Number:
108085-62-7
Molecular Formula:
C8H5NO3S
Molecular Weight:
195.1952
MDL Number:
MFCD09259279
IUPAC Name:
2-sulfanylidene-3H-1,3-benzoxazole-6-carboxylic acid
InChI:
InChI=1S/C8H5NO3S/c10-7(11)4-1-2-5-6(3-4)12-8(13)9-5/h1-3H,(H,9,13)(H,10,11)
InChI Key:
PCYGQWDOXVVKLM-UHFFFAOYSA-N
SMILES:
Sc1nc2c(o1)cc(cc2)C(=O)O
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.999g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.192g/mol
Monoisotopic Mass:
194.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties