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100330-82-3 | Benzenesulfonic acid, 2-[2-(1-acetyl-2-oxopropylidene)hydrazinyl]-
CAS No: 100330-82-3 Catalog No: AG0001N7 MDL No:
Product Description
Catalog Number:
AG0001N7
Chemical Name:
Benzenesulfonic acid, 2-[2-(1-acetyl-2-oxopropylidene)hydrazinyl]-
CAS Number:
100330-82-3
Molecular Formula:
C11H12N2O5S
Molecular Weight:
284.2884
IUPAC Name:
2-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]benzenesulfonic acid
InChI:
InChI=1S/C11H12N2O5S/c1-7(14)11(8(2)15)13-12-9-5-3-4-6-10(9)19(16,17)18/h3-6,14H,1-2H3,(H,16,17,18)
InChI Key:
VLEWMCBTWTWVKC-UHFFFAOYSA-N
SMILES:
CC(=O)C(=NNc1ccccc1S(=O)(=O)O)C(=O)C
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.047g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.286g/mol
Monoisotopic Mass:
284.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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