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89022-84-4 | Butanoic acid, [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl ester
CAS No: 89022-84-4 Catalog No: AG0042S4 MDL No:
Product Description
Catalog Number:
AG0042S4
Chemical Name:
Butanoic acid, [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl ester
CAS Number:
89022-84-4
Molecular Formula:
C19H30O3
Molecular Weight:
306.4397
IUPAC Name:
(3,5-ditert-butyl-4-hydroxyphenyl)methyl butanoate
InChI:
InChI=1S/C19H30O3/c1-8-9-16(20)22-12-13-10-14(18(2,3)4)17(21)15(11-13)19(5,6)7/h10-11,21H,8-9,12H2,1-7H3
InChI Key:
HPDPWYRMDZUGFE-UHFFFAOYSA-N
SMILES:
CCCC(=O)OCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.219g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.446g/mol
Monoisotopic Mass:
306.219g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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