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158938-08-0 | [1,1':4',1''-Terphenyl]-4-carboxylic acid, 4''-(pentyloxy)-
CAS No: 158938-08-0 Catalog No: AG001R13 MDL No:MFCD17019206
Product Description
Catalog Number:
AG001R13
Chemical Name:
[1,1':4',1''-Terphenyl]-4-carboxylic acid, 4''-(pentyloxy)-
CAS Number:
158938-08-0
Molecular Formula:
C24H24O3
Molecular Weight:
360.4456
MDL Number:
MFCD17019206
IUPAC Name:
4-[4-(4-pentoxyphenyl)phenyl]benzoic acid
InChI:
InChI=1S/C24H24O3/c1-2-3-4-17-27-23-15-13-21(14-16-23)19-7-5-18(6-8-19)20-9-11-22(12-10-20)24(25)26/h5-16H,2-4,17H2,1H3,(H,25,26)
InChI Key:
APIUMVXKBCYBSC-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(=O)O
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.173g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.453g/mol
Monoisotopic Mass:
360.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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