Home Other Building Blocks 3-[imino(methyl)oxo-lambda6-sulfanyl]benzoic acid

3-[imino(methyl)oxo-lambda6-sulfanyl]benzoic acid

CAS No.:
1800399-17-0
Catalog Number:
AG01BVDD
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
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Product Description
Catalog Number:
AG01BVDD
Chemical Name:
3-[imino(methyl)oxo-lambda6-sulfanyl]benzoic acid
CAS Number:
1800399-17-0
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
MDL Number:
MFCD30345510
IUPAC Name:
3-(methylsulfonimidoyl)benzoic acid
InChI:
InChI=1S/C8H9NO3S/c1-13(9,12)7-4-2-3-6(5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChI Key:
LUKGLCOJCPIZRG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)S(=O)(=N)C
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.03g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
199.224g/mol
Monoisotopic Mass:
199.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties