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2511-22-0 | Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester
CAS No: 2511-22-0 Catalog No: AG002QIT MDL No:
Product Description
Catalog Number:
AG002QIT
Chemical Name:
Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester
CAS Number:
2511-22-0
Molecular Formula:
C16H24O3
Molecular Weight:
264.3600
IUPAC Name:
methyl 3,5-ditert-butyl-4-hydroxybenzoate
InChI:
InChI=1S/C16H24O3/c1-15(2,3)11-8-10(14(18)19-7)9-12(13(11)17)16(4,5)6/h8-9,17H,1-7H3
InChI Key:
UPVYFJALDJUSOV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
EC Number:
219-729-2
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.365g/mol
Monoisotopic Mass:
264.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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