Molecule record

ascorbic acid

C6H8O6

176.12 g/mol

2D structure for ascorbic acid

Molecular properties

Formula
C6H8O6
Molar mass
176.12 g·mol−1
Exact mass
176.0321 Da
3
4
6
107.00 Ų
-1.6 (PubChem computed XLogP3-AA descriptor)
CAS
50-81-7
PubChem CID
54670067

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alcohol

Physical properties

PropertyValueConditionsSource
Logp-1.6PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 50-81-7
  • Allercorb
  • Ascoltin
  • Ascorbajen
  • Ascorbicap
  • Ascorin
  • Ascorteal
  • Ascorvit
Show all 22 synonyms
  • Cantaxin
  • Cebicure
  • Cegiolan
  • Ceglion
  • Cenetone
  • Cergona
  • Cetemican
  • Cevatine
  • Cevitamic acid
  • Redoxon
  • Viscorin
  • Vitacimin
  • l-ascorbic acid
  • vitamin C

Structure identifiers

Canonical SMILES
C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
Isomeric SMILES
C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
InChI
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
InChIKey
CIWBSHSKHKDKBQ-JLAZNSOCSA-N
PubChem CID
54670067

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

3350 cm−1broad O-H (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for ascorbic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for ascorbic acid; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

simulated IR

ChemForge original educational simulation.

Open source record