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74774-57-5 | Benzoic acid,4,4'-[1,8-octanediylbis(oxy)]bis- (9CI)
CAS No: 74774-57-5 Catalog No: AG005HA0 MDL No:
Product Description
Catalog Number:
AG005HA0
Chemical Name:
Benzoic acid,4,4'-[1,8-octanediylbis(oxy)]bis- (9CI)
CAS Number:
74774-57-5
Molecular Formula:
C22H26O6
Molecular Weight:
386.4382
IUPAC Name:
4-[8-(4-carboxyphenoxy)octoxy]benzoic acid
InChI:
InChI=1S/C22H26O6/c23-21(24)17-7-11-19(12-8-17)27-15-5-3-1-2-4-6-16-28-20-13-9-18(10-14-20)22(25)26/h7-14H,1-6,15-16H2,(H,23,24)(H,25,26)
InChI Key:
GYWGAJIWZHWZLW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)OCCCCCCCCOc1ccc(cc1)C(=O)O
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.173g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
386.444g/mol
Monoisotopic Mass:
386.173g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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