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880255-51-6 | Benzoic acid, 3,5-bis[2-[(3-ethyl-3-oxetanyl)methoxy]ethoxy]-
CAS No: 880255-51-6 Catalog No: AG004GGO MDL No:
Product Description
Catalog Number:
AG004GGO
Chemical Name:
Benzoic acid, 3,5-bis[2-[(3-ethyl-3-oxetanyl)methoxy]ethoxy]-
CAS Number:
880255-51-6
Molecular Formula:
C23H34O8
Molecular Weight:
438.5113
IUPAC Name:
3,5-bis[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]benzoic acid
InChI:
InChI=1S/C23H34O8/c1-3-22(14-28-15-22)12-26-5-7-30-19-9-18(21(24)25)10-20(11-19)31-8-6-27-13-23(4-2)16-29-17-23/h9-11H,3-8,12-17H2,1-2H3,(H,24,25)
InChI Key:
NMOSMRLFNYVELT-UHFFFAOYSA-N
SMILES:
CCC1(COCCOc2cc(OCCOCC3(CC)COC3)cc(c2)C(=O)O)COC1
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.225g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
438.517g/mol
Monoisotopic Mass:
438.225g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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