MetaADEDB 2.0 @ LMMD
di-n-hexyl phthalate
(KCXZNSGUUQJJTR-UHFFFAOYSA-N)
Structure
SMILES
CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC
Molecular Formula:
C20H30O4
Molecular Weight:
334.450
Log P:
5.1608
Hydrogen Bond Acceptor:
4
Hydrogen Bond Donor:
0
TPSA:
52.6
CAS Number(s):
84-75-3; 68610-82-2
Synonym(s)
1.
di-n-hexyl phthalate
2.
dihexyl phthalate
3.
phthalic acid dihexyl ester
External Link(s)
MeSHC027387
PubChem Compound6786
ChEBI34678
CHEMBLCHEMBL3181956
KEGGcpd:C14504
ZINC3875586
Adverse Drug Event(s)
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