CAS: 16225-26-6
이름: 3,5-ditert-butylbenzoic acid
SMILES:
CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(C)(C)CMolecular Processing
Molecular formula
C15H22O2
Molecular weight
234.34
Exact mass
234.162
XLogP
3.98
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
70.8
Supplementary Information
InChIKey: NCTSLPBQVXUAHR-UHFFFAOYSA-N
동의어
16225-26-63,5-Bis(tert-butyl)benzoic acidEINECS 240-350-3DTXSID20167341RefChem:486540DTXCID2089832240-350-33,5-Di-tert-butylbenzoic acid3,5-ditert-butylbenzoic acidBenzoic acid, 3,5-bis(1,1-dimethylethyl)-3,5-Ditertbutylbenzoic acid3,5-Di-t-butylbenzoic acidMFCD000827273,5-Di-tert-butylbenzoicacid3,5-di-tert-butyl benzoic acidF9995-04245-Di-tert-butylbenzoic acid3,5-di-tertbutylbenzoic acidSCHEMBL501956SCHEMBL5019573,5-di(t-butyl)benzoic acid3,5-Di-t-butyl benzoic acidNCTSLPBQVXUAHR-UHFFFAOYSA-3,5-Di-(tert-butyl)benzoic acidSMSSF-0552801CL8060SBB064634AKOS0008136113,5-Di-tert-butylbenzoic acid, 99%CS-W010335
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