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74774-61-1 | 1,10-Bis(4-carboxyphenoxy)decane , 97%
CAS No: 74774-61-1 Catalog No: AG003D75 MDL No:MFCD00142356
Product Description
Catalog Number:
AG003D75
Chemical Name:
1,10-Bis(4-carboxyphenoxy)decane , 97%
CAS Number:
74774-61-1
Molecular Formula:
C24H30O6
Molecular Weight:
414.4914
MDL Number:
MFCD00142356
IUPAC Name:
4-[10-(4-carboxyphenoxy)decoxy]benzoic acid
InChI:
InChI=1S/C24H30O6/c25-23(26)19-9-13-21(14-10-19)29-17-7-5-3-1-2-4-6-8-18-30-22-15-11-20(12-16-22)24(27)28/h9-16H,1-8,17-18H2,(H,25,26)(H,27,28)
InChI Key:
XRDKWFXOXXUQJS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)OCCCCCCCCCCOc1ccc(cc1)C(=O)O
NSC Number:
713191
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.204g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
414.498g/mol
Monoisotopic Mass:
414.204g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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