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129902-61-0 | [1,1'-Biphenyl]-4,4'-diol, (1,1-dimethylethyl)- (9CI)
CAS No: 129902-61-0 Catalog No: AG000TRM MDL No:
Product Description
Catalog Number:
AG000TRM
Chemical Name:
[1,1'-Biphenyl]-4,4'-diol, (1,1-dimethylethyl)- (9CI)
CAS Number:
129902-61-0
Molecular Formula:
C16H18O2
Molecular Weight:
242.3129
IUPAC Name:
3-tert-butyl-4-(4-hydroxyphenyl)phenol
InChI:
InChI=1S/C16H18O2/c1-16(2,3)15-10-13(18)8-9-14(15)11-4-6-12(17)7-5-11/h4-10,17-18H,1-3H3
InChI Key:
DFYVJWAEUAUIAZ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1ccc(cc1C(C)(C)C)O
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.318g/mol
Monoisotopic Mass:
242.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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