Mrv0541 09211104422D          

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M  END
> <DATABASE_NAME>
t3db

> <DATABASE_ID>
T3D0052

> <SMILES>
CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3

> <INCHI_KEY>
InChIKey=DOIRQSBPFJWKBE-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
31.039340267039456

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
278.151809192

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C16H22O4

> <JCHEM_IUPAC>
1,2-dibutyl benzene-1,2-dicarboxylate

> <JCHEM_LOGP>
4.627997773333334

> <JCHEM_MASS>
278.3435

> <JCHEM_POLAR_SURFACE_AREA>
52.60000000000001

> <JCHEM_REFRACTIVITY>
77.85580000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_TRADITIONAL_IUPAC>
dibutyl phthalate

$$$$