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102225-88-7 | Benzenemethanol, α-methyl-2,4,6-tris(1-methylethyl)-, (αS)-
CAS No: 102225-88-7 Catalog No: AG0006YN MDL No:MFCD09836213
Product Description
Catalog Number:
AG0006YN
Chemical Name:
Benzenemethanol, α-methyl-2,4,6-tris(1-methylethyl)-, (αS)-
CAS Number:
102225-88-7
Molecular Formula:
C17H28O
Molecular Weight:
248.4036
MDL Number:
MFCD09836213
IUPAC Name:
(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethanol
InChI:
InChI=1S/C17H28O/c1-10(2)14-8-15(11(3)4)17(13(7)18)16(9-14)12(5)6/h8-13,18H,1-7H3/t13-/m0/s1
InChI Key:
VYKPQIIFUMKNLF-ZDUSSCGKSA-N
SMILES:
CC(c1cc(C(C)C)c(c(c1)C(C)C)[C@@H](O)C)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
248.214g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.41g/mol
Monoisotopic Mass:
248.214g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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