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676257-38-8 | Benzenesulfonic acid, 2,3-diformyl-
CAS No: 676257-38-8 Catalog No: AG005LKH MDL No:
Product Description
Catalog Number:
AG005LKH
Chemical Name:
Benzenesulfonic acid, 2,3-diformyl-
CAS Number:
676257-38-8
Molecular Formula:
C8H6O5S
Molecular Weight:
214.1952
IUPAC Name:
2,3-diformylbenzenesulfonic acid
InChI:
InChI=1S/C8H6O5S/c9-4-6-2-1-3-8(7(6)5-10)14(11,12)13/h1-5H,(H,11,12,13)
InChI Key:
FIAHGYJKEGCMCQ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1C=O)S(=O)(=O)O
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.191g/mol
Monoisotopic Mass:
213.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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