Monobenzyl phthalate


Monobenzyl phthalate
DEDuCT identifierDED000895
PubChem identifier31736
CAS identifier2528-16-7
DSSTox identifierDTXSID9043938
IUPAC name2-phenylmethoxycarbonylbenzoic acid
Category based on type of supporting evidenceCategory IV
Broad category based on environmental sourceIndustry
Sub-category based on environmental sourceIndustrial Additive, Plasticizer, Solvent
Chemical kingdomOrganic compounds
Chemical super-classBenzenoids
Chemical classBenzene and substituted derivatives
SMILESO=C(c1ccccc1C(=O)O)OCc1ccccc1
InChIInChI=1S/C15H12O4/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChIKeyXIKIUQUXDNHBFR-UHFFFAOYSA-N

Download structure:
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT

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