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74305-48-9 | 4-Pentylphenyl-4'-pentylbenzoate
CAS No: 74305-48-9 Catalog No: AG003LYJ MDL No:MFCD01076318
Product Description
Catalog Number:
AG003LYJ
Chemical Name:
4-Pentylphenyl-4'-pentylbenzoate
CAS Number:
74305-48-9
Molecular Formula:
C23H30O2
Molecular Weight:
338.4831
MDL Number:
MFCD01076318
IUPAC Name:
(4-pentylphenyl) 4-pentylbenzoate
InChI:
InChI=1S/C23H30O2/c1-3-5-7-9-19-11-15-21(16-12-19)23(24)25-22-17-13-20(14-18-22)10-8-6-4-2/h11-18H,3-10H2,1-2H3
InChI Key:
VWDNHTVWLXZZEK-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)OC(=O)c1ccc(cc1)CCCCC
EC Number:
277-812-9
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.225g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.491g/mol
Monoisotopic Mass:
338.225g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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