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16225-26-6 | Benzoic acid, 3,5-bis(1,1-dimethylethyl)-
CAS No: 16225-26-6 Catalog No: AG001SX7 MDL No:MFCD00082727
Product Description
Catalog Number:
AG001SX7
Chemical Name:
Benzoic acid, 3,5-bis(1,1-dimethylethyl)-
CAS Number:
16225-26-6
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
MDL Number:
MFCD00082727
IUPAC Name:
3,5-ditert-butylbenzoic acid
InChI:
InChI=1S/C15H22O2/c1-14(2,3)11-7-10(13(16)17)8-12(9-11)15(4,5)6/h7-9H,1-6H3,(H,16,17)
InChI Key:
NCTSLPBQVXUAHR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
EC Number:
240-350-3
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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