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2349-78-2 | 1,4-Benzenediol, 2-(1,1-dimethylethyl)-5-(1-methylethyl)-
CAS No: 2349-78-2 Catalog No: AG002NES MDL No:
Product Description
Catalog Number:
AG002NES
Chemical Name:
1,4-Benzenediol, 2-(1,1-dimethylethyl)-5-(1-methylethyl)-
CAS Number:
2349-78-2
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
IUPAC Name:
2-tert-butyl-5-propan-2-ylbenzene-1,4-diol
InChI:
InChI=1S/C13H20O2/c1-8(2)9-6-12(15)10(7-11(9)14)13(3,4)5/h6-8,14-15H,1-5H3
InChI Key:
WBQXBMIEQDOXPF-UHFFFAOYSA-N
SMILES:
CC(c1cc(O)c(cc1O)C(C)(C)C)C
NSC Number:
124043
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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