Molecular properties
- Formula
- H2O
- Molar mass
- 18.02 g·mol−1
- Exact mass
- 18.0106 Da
- 0
- 1
- 1
- 1.00 Ų
- -0.5 (PubChem computed XLogP3-AA descriptor)
- CAS
- 7732-18-5
- PubChem CID
- 962
Molecule record
water
H2O
18.02 g/mol
Interactions
- Polarity
- Often weakly polar or nonpolar unless other structural features dominate.
- 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
No functional-group assignment has been curated yet.
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Melting point | 0 deg C | 1 atm | PubChem(link only) |
| Boiling point | 100 deg C | 1 atm | PubChem(link only) |
| Density | 0.997 g/mL | 25 deg C | PubChem(link only) |
| Logp | -0.5 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 7732-18-5
- DHMO
- Deionized water
- Dihydrogen Monoxide
- Dihydrogen oxide
- Distilled water
- Pur-wash
- Purified water
Show all 22 synonyms
- Sterile purified water
- Sterile water
- Sterile water for irrigation
- Water for hemodialysis
- Water for injection
- Water vapor
- Water, deionized
- Water, distilled
- Water, mineral
- Water, purified
- Water, sterile
- aqua
- oxidane
- steam
Structure identifiers
- Canonical SMILES
- O
- Isomeric SMILES
- O
- InChI
- InChI=1S/H2O/h1H2
- InChIKey
- XLYOFNOQVPJJNP-UHFFFAOYSA-N
- PubChem CID
- 962
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for water; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for water; not experimental data.
Related molecules
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.