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15018-03-8 | Benzoic acid, 3,5-bis(1,1-dimethylethyl)-2-hydroxy-, methyl ester
CAS No: 15018-03-8 Catalog No: AG001ME9 MDL No:MFCD00043704
Product Description
Catalog Number:
AG001ME9
Chemical Name:
Benzoic acid, 3,5-bis(1,1-dimethylethyl)-2-hydroxy-, methyl ester
CAS Number:
15018-03-8
Molecular Formula:
C16H24O3
Molecular Weight:
264.3600
MDL Number:
MFCD00043704
IUPAC Name:
methyl 3,5-ditert-butyl-2-hydroxybenzoate
InChI:
InChI=1S/C16H24O3/c1-15(2,3)10-8-11(14(18)19-7)13(17)12(9-10)16(4,5)6/h8-9,17H,1-7H3
InChI Key:
QSGONIQEKLJPGV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
Properties
Complexity:
322
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:
5.3
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