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2316-92-9 | Phenol, 4-(2,2-dimethylpropyl)-
CAS No: 2316-92-9 Catalog No: AG002MFM MDL No:
Product Description
Catalog Number:
AG002MFM
Chemical Name:
Phenol, 4-(2,2-dimethylpropyl)-
CAS Number:
2316-92-9
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
4-(2,2-dimethylpropyl)phenol
InChI:
InChI=1S/C11H16O/c1-11(2,3)8-9-4-6-10(12)7-5-9/h4-7,12H,8H2,1-3H3
InChI Key:
ICTHGQKQYABWMV-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)O)(C)C
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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