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Molecule record

folic acid

C19H19N7O6

441.40 g/mol

2D structure for folic acid

Molecular properties

Formula
C19H19N7O6
Molar mass
441.40 g·mol−1
Exact mass
441.1397 Da
14
6
10
209.00 Ų
-1.1 (PubChem computed XLogP3-AA descriptor)
CAS
59-30-3
PubChem CID
135398658

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
Alkene
Amide
Amine
Aromatic ring
Carboxylic acid
Phenol

Physical properties

PropertyValueConditionsSource
Logp-1.1PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 59-30-3
  • Acifolic
  • Cytofol
  • Folacid
  • Folacin
  • Folbal
  • Folcidin
  • Folettes
Show all 23 synonyms
  • Foliamin
  • Folicet
  • Folipac
  • Folsan
  • Folsaure
  • Folsav
  • Folvite
  • Incafolic
  • Millafol
  • PteGlu
  • Pteroyl-L-glutamic acid
  • Pteroylglutamic acid
  • Vitamin B9
  • Vitamin Bc
  • Vitamin M

Structure identifiers

Canonical SMILES
C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N
Isomeric SMILES
C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N
InChI
InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1
InChIKey
OVBPIULPVIDEAO-LBPRGKRZSA-N
PubChem CID
135398658

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

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)
3000 cm−1broad acid O-H (simulated)
1710 cm−1C=O acid (simulated)
1660 cm−1amide C=O (simulated)
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

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

Simulated EI mass spectrum

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

Sources

Molecule identity

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

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record
folic acid - Formula, Structure, Properties, IR and spectroscopy data | ChemArche