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89810-46-8 | Dodecanoic acid, [1,1'-biphenyl]-4-yl ester
CAS No: 89810-46-8 Catalog No: AG003Y5Z MDL No:
Product Description
Catalog Number:
AG003Y5Z
Chemical Name:
Dodecanoic acid, [1,1'-biphenyl]-4-yl ester
CAS Number:
89810-46-8
Molecular Formula:
C24H32O2
Molecular Weight:
352.5097
IUPAC Name:
(4-phenylphenyl) dodecanoate
InChI:
InChI=1S/C24H32O2/c1-2-3-4-5-6-7-8-9-13-16-24(25)26-23-19-17-22(18-20-23)21-14-11-10-12-15-21/h10-12,14-15,17-20H,2-9,13,16H2,1H3
InChI Key:
LCRGZXAZWAIIGQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)Oc1ccc(cc1)c1ccccc1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.24g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.518g/mol
Monoisotopic Mass:
352.24g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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