MetaADEDB 2.0 @ LMMD
monobutyl phthalate
(YZBOVSFWWNVKRJ-UHFFFAOYSA-N)
Structure
SMILES
CCCCOC(=O)c1ccccc1C(=O)O
Molecular Formula:
C12H14O4
Molecular Weight:
222.237
Log P:
2.3417
Hydrogen Bond Acceptor:
4
Hydrogen Bond Donor:
1
TPSA:
63.6
CAS Number(s):
34-74-2; 131-70-4
Synonym(s)
1.
monobutyl phthalate
2.
mono-n-butyl phthalate
3.
monobutyl phthalate, cobalt (2+) salt
4.
monobutyl phthalate, copper (2+) salt
5.
monobutyl phthalate, manganese (2+) salt
6.
monobutyl phthalate, potassium salt
7.
monobutyl phthalate, sodium salt
External Link(s)
MeSHC028577
PubChem Compound8575
ChEBI88522
CHEMBLCHEMBL2447930
ZINC1586773
Adverse Drug Event(s)
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