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85204-28-0 | Benzenemethanol,3-(1,1-dimethylethyl)-5-methyl-
CAS No: 85204-28-0 Catalog No: AG004QGF MDL No:
Product Description
Catalog Number:
AG004QGF
Chemical Name:
Benzenemethanol,3-(1,1-dimethylethyl)-5-methyl-
CAS Number:
85204-28-0
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
(3-tert-butyl-5-methylphenyl)methanol
InChI:
InChI=1S/C12H18O/c1-9-5-10(8-13)7-11(6-9)12(2,3)4/h5-7,13H,8H2,1-4H3
InChI Key:
QOKKZXRTROQJFO-UHFFFAOYSA-N
SMILES:
OCc1cc(C)cc(c1)C(C)(C)C
EC Number:
286-324-5
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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