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1445-23-4 | Phenol, 2-(1,1-dimethylethyl)-4,5-dimethyl-
CAS No: 1445-23-4 Catalog No: AG001JNK MDL No:
Product Description
Catalog Number:
AG001JNK
Chemical Name:
Phenol, 2-(1,1-dimethylethyl)-4,5-dimethyl-
CAS Number:
1445-23-4
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
2-tert-butyl-4,5-dimethylphenol
InChI:
InChI=1S/C12H18O/c1-8-6-10(12(3,4)5)11(13)7-9(8)2/h6-7,13H,1-5H3
InChI Key:
GDGFDAKCWRGGHW-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c(cc1C)C(C)(C)C
EC Number:
215-891-3
Properties
Complexity:
169
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:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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