Homovanillic acid 3D structure

Homovanillic acid (also called 4-Hydroxy-3-methoxyphenylacetic acid, Vanillacetic acid) has the formula C9H10O4 and a molar mass of 182.17 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula
C9H10O4
Molar mass
182.17 g/mol
PubChem CID
1738
Heavy atoms
13
Category
Neurotransmitters

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name2-(4-hydroxy-3-methoxyphenyl)acetic acid
SMILESCOC1=C(C=CC(=C1)CC(=O)O)O
PubChem CID1738
Other names4-Hydroxy-3-methoxyphenylacetic acid, Vanillacetic acid, 3-Methoxy-4-hydroxyphenylacetic acid, 4-Hydroxy-3-methoxybenzeneacetic acid, Vanilacetic acid

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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