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827614-99-3 | Acetic acid, [2-[2-[4-(1,2,3,4-tetramethylpentyl)phenoxy]ethoxy]ethoxy]-
CAS No: 827614-99-3 Catalog No: AG004Y4V MDL No:
Product Description
Catalog Number:
AG004Y4V
Chemical Name:
Acetic acid, [2-[2-[4-(1,2,3,4-tetramethylpentyl)phenoxy]ethoxy]ethoxy]-
CAS Number:
827614-99-3
Molecular Formula:
C21H34O5
Molecular Weight:
366.4917
IUPAC Name:
2-[2-[2-[4-(3,4,5-trimethylhexan-2-yl)phenoxy]ethoxy]ethoxy]acetic acid
InChI:
InChI=1S/C21H34O5/c1-15(2)16(3)17(4)18(5)19-6-8-20(9-7-19)26-13-12-24-10-11-25-14-21(22)23/h6-9,15-18H,10-14H2,1-5H3,(H,22,23)
InChI Key:
HPYGQKIDDBRIOE-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)OCCOCCOCC(=O)O)C(C(C(C)C)C)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.241g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.498g/mol
Monoisotopic Mass:
366.241g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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