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19715-19-6 | Benzoic acid, 3,5-bis(1,1-dimethylethyl)-2-hydroxy-
CAS No: 19715-19-6 Catalog No: AG002AMD MDL No:MFCD00059058
Product Description
Catalog Number:
AG002AMD
Chemical Name:
Benzoic acid, 3,5-bis(1,1-dimethylethyl)-2-hydroxy-
CAS Number:
19715-19-6
Molecular Formula:
C15H22O3
Molecular Weight:
250.3334
MDL Number:
MFCD00059058
IUPAC Name:
3,5-ditert-butyl-2-hydroxybenzoic acid
InChI:
InChI=1S/C15H22O3/c1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)
InChI Key:
ZWQBZEFLFSFEOS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
EC Number:
243-246-6
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.338g/mol
Monoisotopic Mass:
250.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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