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89655-34-5 | Acetic acid, (2,4-di-tert-hexylphenoxy)-
CAS No: 89655-34-5 Catalog No: AG0044XJ MDL No:
Product Description
Catalog Number:
AG0044XJ
Chemical Name:
Acetic acid, (2,4-di-tert-hexylphenoxy)-
CAS Number:
89655-34-5
Molecular Formula:
C20H32O3
Molecular Weight:
320.4663
IUPAC Name:
2-[2,4-bis(2-methylpentan-2-yl)phenoxy]acetic acid
InChI:
InChI=1S/C20H32O3/c1-7-11-19(3,4)15-9-10-17(23-14-18(21)22)16(13-15)20(5,6)12-8-2/h9-10,13H,7-8,11-12,14H2,1-6H3,(H,21,22)
InChI Key:
IHYSOTMRKCTTIE-UHFFFAOYSA-N
SMILES:
CCCC(c1cc(ccc1OCC(=O)O)C(CCC)(C)C)(C)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.235g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.473g/mol
Monoisotopic Mass:
320.235g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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