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19059-89-3 | Phenol, 2-amino-6-(1,1-dimethylethyl)-4-methyl-
CAS No: 19059-89-3 Catalog No: AG002ENR MDL No:
Product Description
Catalog Number:
AG002ENR
Chemical Name:
Phenol, 2-amino-6-(1,1-dimethylethyl)-4-methyl-
CAS Number:
19059-89-3
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
IUPAC Name:
2-amino-6-tert-butyl-4-methylphenol
InChI:
InChI=1S/C11H17NO/c1-7-5-8(11(2,3)4)10(13)9(12)6-7/h5-6,13H,12H2,1-4H3
InChI Key:
QUFHKFVBPSAABK-UHFFFAOYSA-N
SMILES:
Cc1cc(N)c(c(c1)C(C)(C)C)O
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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