4-methylphenylacetate | SBID = 1710 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: -1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C9H9O2-
M / g/mol: 149.16656
Complexity:
Number of Conformers:

Identifiers

  • Tags: anion, charged
  • Name: 4-methylphenylacetate
  • Preferred Abbreviation: 4-methylphenylacetate
  • IUPAC Name:
  • CAS:
  • CID: -675
  • InChiKey: GXXXUZIRGXYDFP-UHFFFAOYSA-M
  • InChi: InChI=1S/C9H10O2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)/p-1
  • CanoSmiles: [O-]C(=O)Cc1ccc(cc1)C
  • IsoSmiles: [O-]C(CC1=CC=C(C)C=C1)=O