MetaADEDB 2.0 @ LMMD
mono-benzyl phthalate
(XIKIUQUXDNHBFR-UHFFFAOYSA-N)
Structure
SMILES
O=C(c1ccccc1C(=O)O)OCc1ccccc1
Molecular Formula:
C15H12O4
Molecular Weight:
256.253
Log P:
2.7418
Hydrogen Bond Acceptor:
4
Hydrogen Bond Donor:
1
TPSA:
63.6
CAS Number(s):
2528-16-7
Synonym(s)
1.
mono-benzyl phthalate
2.
mono-benzyl phthalate, calcium salt
3.
phthalic acid monobenzyl ester
External Link(s)
MeSHC103325
PubChem Compound31736
ChEBI132612
CHEMBLCHEMBL1466083
ZINC97700
Adverse Drug Event(s)
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