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2349-72-6 | 1,4-Benzenediol, 2-(1,1-dimethylpropyl)-
CAS No: 2349-72-6 Catalog No: AG002NE4 MDL No:
Product Description
Catalog Number:
AG002NE4
Chemical Name:
1,4-Benzenediol, 2-(1,1-dimethylpropyl)-
CAS Number:
2349-72-6
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
2-(2-methylbutan-2-yl)benzene-1,4-diol
InChI:
InChI=1S/C11H16O2/c1-4-11(2,3)9-7-8(12)5-6-10(9)13/h5-7,12-13H,4H2,1-3H3
InChI Key:
FKWOGPPGVRDIRZ-UHFFFAOYSA-N
SMILES:
CCC(c1cc(O)ccc1O)(C)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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