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137569-21-2 | 2-Pentenoic acid, 2,6-bis(1,1-dimethylethyl)-4-methoxyphenyl ester
CAS No: 137569-21-2 Catalog No: AG0013KG MDL No:
Product Description
Catalog Number:
AG0013KG
Chemical Name:
2-Pentenoic acid, 2,6-bis(1,1-dimethylethyl)-4-methoxyphenyl ester
CAS Number:
137569-21-2
Molecular Formula:
C20H30O3
Molecular Weight:
318.4504
IUPAC Name:
(2,6-ditert-butyl-4-methoxyphenyl) pent-2-enoate
InChI:
InChI=1S/C20H30O3/c1-9-10-11-17(21)23-18-15(19(2,3)4)12-14(22-8)13-16(18)20(5,6)7/h10-13H,9H2,1-8H3
InChI Key:
UDVDEDMNPWMOKZ-UHFFFAOYSA-N
SMILES:
CCC=CC(=O)Oc1c(cc(cc1C(C)(C)C)OC)C(C)(C)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.219g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.457g/mol
Monoisotopic Mass:
318.219g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.2
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