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26022-00-4 | 4-tert-butylphenol; formaldehyde; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; p-cresol
CAS No: 26022-00-4 Catalog No: AG006UGL MDL No:
Product Description
Catalog Number:
AG006UGL
Chemical Name:
4-tert-butylphenol; formaldehyde; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; p-cresol
CAS Number:
26022-00-4
Molecular Formula:
C33H40O5
Molecular Weight:
516.6677
IUPAC Name:
4-tert-butylphenol;formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-methylphenol
InChI:
InChI=1S/C15H16O2.C10H14O.C7H8O.CH2O/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-10(2,3)8-4-6-9(11)7-5-8;1-6-2-4-7(8)5-3-6;1-2/h3-10,16-17H,1-2H3;4-7,11H,1-3H3;2-5,8H,1H3;1H2
InChI Key:
YTHDLYIZJOHIHH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)O.Oc1ccc(cc1)C(C)(C)C.Oc1ccc(cc1)C(c1ccc(cc1)O)(C)C.O=C
EC Number:
607-846-5
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.288g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
516.678g/mol
Monoisotopic Mass:
516.288g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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