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877126-49-3 | Benzenebutanoic acid, 4-[6-(4-butylphenyl)-1,3,5-hexatrienyl]-
CAS No: 877126-49-3 Catalog No: AG004NBU MDL No:
Product Description
Catalog Number:
AG004NBU
Chemical Name:
Benzenebutanoic acid, 4-[6-(4-butylphenyl)-1,3,5-hexatrienyl]-
CAS Number:
877126-49-3
Molecular Formula:
C26H30O2
Molecular Weight:
374.5152
IUPAC Name:
4-[4-[6-(4-butylphenyl)hexa-1,3,5-trienyl]phenyl]butanoic acid
InChI:
InChI=1S/C26H30O2/c1-2-3-9-22-14-16-23(17-15-22)10-6-4-5-7-11-24-18-20-25(21-19-24)12-8-13-26(27)28/h4-7,10-11,14-21H,2-3,8-9,12-13H2,1H3,(H,27,28)
InChI Key:
CTTFDYPIVNOZDD-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C=CC=CC=Cc1ccc(cc1)CCCC(=O)O
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.225g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.524g/mol
Monoisotopic Mass:
374.225g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
7.5
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