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90936-76-8 | Urea, N,N'-bis[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-
CAS No: 90936-76-8 Catalog No: AG006GDL MDL No:
Product Description
Catalog Number:
AG006GDL
Chemical Name:
Urea, N,N'-bis[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-
CAS Number:
90936-76-8
Molecular Formula:
C29H44N2O3
Molecular Weight:
468.6713
IUPAC Name:
1,3-bis(3,5-ditert-butyl-4-hydroxyphenyl)urea
InChI:
InChI=1S/C29H44N2O3/c1-26(2,3)19-13-17(14-20(23(19)32)27(4,5)6)30-25(34)31-18-15-21(28(7,8)9)24(33)22(16-18)29(10,11)12/h13-16,32-33H,1-12H3,(H2,30,31,34)
InChI Key:
LRBQXZKJZYCYMV-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)Nc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.335g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
468.682g/mol
Monoisotopic Mass:
468.335g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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