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67969-99-7 | FORMALDEHYDE; 4-(4-HYDROXYPHENYL)SULFONYLPHENOL; 4-TERT-BUTYLPHENOL
CAS No: 67969-99-7 Catalog No: AG006HE2 MDL No:
Product Description
Catalog Number:
AG006HE2
Chemical Name:
FORMALDEHYDE; 4-(4-HYDROXYPHENYL)SULFONYLPHENOL; 4-TERT-BUTYLPHENOL
CAS Number:
67969-99-7
Molecular Formula:
C23H26O6S
Molecular Weight:
430.5139
IUPAC Name:
4-tert-butylphenol;formaldehyde;4-(4-hydroxyphenyl)sulfonylphenol
InChI:
InChI=1S/C12H10O4S.C10H14O.CH2O/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;1-10(2,3)8-4-6-9(11)7-5-8;1-2/h1-8,13-14H;4-7,11H,1-3H3;1H2
InChI Key:
PYIZMTOSQQSSAG-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)O)(C)C.Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O.O=C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.145g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
430.515g/mol
Monoisotopic Mass:
430.145g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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