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68649-25-2 | FORMALDEHYDE; 4-(4-HYDROXYPHENYL)SULFONYLPHENOL; NAPHTHALENE-2-SULFONIC ACID
CAS No: 68649-25-2 Catalog No: AG006I2B MDL No:
Product Description
Catalog Number:
AG006I2B
Chemical Name:
FORMALDEHYDE; 4-(4-HYDROXYPHENYL)SULFONYLPHENOL; NAPHTHALENE-2-SULFONIC ACID
CAS Number:
68649-25-2
Molecular Formula:
C23H20O8S2
Molecular Weight:
488.5301
IUPAC Name:
formaldehyde;4-(4-hydroxyphenyl)sulfonylphenol;naphthalene-2-sulfonic acid
InChI:
InChI=1S/C12H10O4S.C10H8O3S.CH2O/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;1-2/h1-8,13-14H;1-7H,(H,11,12,13);1H2
InChI Key:
UAECIANEJUCZHI-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccc2c(c1)cccc2.Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O.C=O
EC Number:
272-024-1
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.06g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
488.525g/mol
Monoisotopic Mass:
488.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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