Mrv0541 09211104272D          

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M  END
> <DATABASE_NAME>
t3db

> <DATABASE_ID>
T3D0076

> <SMILES>
CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC

> <INCHI_IDENTIFIER>
InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3

> <INCHI_KEY>
InChIKey=BJQHLKABXJIVAM-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
46.55802920526853

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
390.277009704

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C24H38O4

> <JCHEM_IUPAC>
1,2-bis(2-ethylhexyl) benzene-1,2-dicarboxylate

> <JCHEM_LOGP>
8.025355415999998

> <JCHEM_MASS>
390.5561

> <JCHEM_POLAR_SURFACE_AREA>
52.60000000000001

> <JCHEM_REFRACTIVITY>
114.405

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_TRADITIONAL_IUPAC>
2-ethylhexyl phthalate

$$$$