4-​(tert-​Butyl)​-​2-​methylphenol


Chemical Name: 4-​(tert-​Butyl)​-​2-​methylphenol
CAS Number: 98-27-1
Product Number: AG00IK05(AGN-PC-0WAKMY)
Synonyms:
MDL No:
Molecular Formula: C11H16O
Molecular Weight: 164.2441

Identification/Properties


Computed Properties
Molecular Weight:
164.248g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
164.12g/mol
Monoisotopic Mass:
164.12g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
146
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2430
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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