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88972-94-5 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methyl-1H-indol-2-yl)-
CAS No: 88972-94-5 Catalog No: AG0046V2 MDL No:
Product Description
Catalog Number:
AG0046V2
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methyl-1H-indol-2-yl)-
CAS Number:
88972-94-5
Molecular Formula:
C23H29NO
Molecular Weight:
335.4825
IUPAC Name:
2,6-ditert-butyl-4-(1-methylindol-2-yl)phenol
InChI:
InChI=1S/C23H29NO/c1-22(2,3)17-12-16(13-18(21(17)25)23(4,5)6)20-14-15-10-8-9-11-19(15)24(20)7/h8-14,25H,1-7H3
InChI Key:
HXHRVABEBHRLOM-UHFFFAOYSA-N
SMILES:
Cn1c(cc2c1cccc2)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.225g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.491g/mol
Monoisotopic Mass:
335.225g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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