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275823-92-2 | Acetic acid, 2-(2-sec-octylphenoxy)-
CAS No: 275823-92-2 Catalog No: AG002U5G MDL No:
Product Description
Catalog Number:
AG002U5G
Chemical Name:
Acetic acid, 2-(2-sec-octylphenoxy)-
CAS Number:
275823-92-2
Molecular Formula:
C16H24O3
Molecular Weight:
264.3600
IUPAC Name:
2-(2-octan-2-ylphenoxy)acetic acid
InChI:
InChI=1S/C16H24O3/c1-3-4-5-6-9-13(2)14-10-7-8-11-15(14)19-12-16(17)18/h7-8,10-11,13H,3-6,9,12H2,1-2H3,(H,17,18)
InChI Key:
MDRVLHSYVLZQSP-UHFFFAOYSA-N
SMILES:
CCCCCCC(c1ccccc1OCC(=O)O)C
Properties
Complexity:
252
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:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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