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73021-84-8 | Methanesulfonamide, N-(4-oxo-2,5-cyclohexadien-1-ylidene)-
CAS No: 73021-84-8 Catalog No: AG008QPG MDL No:
Product Description
Catalog Number:
AG008QPG
Chemical Name:
Methanesulfonamide, N-(4-oxo-2,5-cyclohexadien-1-ylidene)-
CAS Number:
73021-84-8
Molecular Formula:
C7H7NO3S
Molecular Weight:
185.2004
IUPAC Name:
N-(4-oxocyclohexa-2,5-dien-1-ylidene)methanesulfonamide
InChI:
InChI=1S/C7H7NO3S/c1-12(10,11)8-6-2-4-7(9)5-3-6/h2-5H,1H3
InChI Key:
NDLQEBVURWOHCQ-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=NS(=O)(=O)C)C=C1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.197g/mol
Monoisotopic Mass:
185.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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