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115126-97-1 | Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-methoxy-, methyl ester
CAS No: 115126-97-1 Catalog No: AG000GBC MDL No:
Product Description
Catalog Number:
AG000GBC
Chemical Name:
Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-methoxy-, methyl ester
CAS Number:
115126-97-1
Molecular Formula:
C17H26O3
Molecular Weight:
278.3865
IUPAC Name:
methyl 3,5-ditert-butyl-4-methoxybenzoate
InChI:
InChI=1S/C17H26O3/c1-16(2,3)12-9-11(15(18)20-8)10-13(14(12)19-7)17(4,5)6/h9-10H,1-8H3
InChI Key:
CQHWTFRZWJFWEH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.188g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.392g/mol
Monoisotopic Mass:
278.188g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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