Vanillic acid[香草酸]

121-34-6

CAS Name

Vanillic acid

Molecular Formula

C₈H₈O₄

Molecular Mass

168.15

Compound Properties

• Melting Point (1)

  211.5 °C

• Density (2)

  0.29081 g/cm³ @ Temp: 59.9 °C; Press: 75006 Torr

Source(s)

• (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
• (2) Bian, Xiao-Qiang; Chemical Engineering Research and Design, (2017), 123, 284-294, CAplus

Other Names and Identifiers

InChI

InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)

InChIKey

InChIKey=WKOLLVMJNQIZCI-UHFFFAOYSA-N

SMILES

O(C)C1=CC(C(O)=O)=CC=C1O

Canonical SMILES

O=C(O)C1=CC=C(O)C(OC)=C1

Other Names for this Substance