2D structurePubChem CID 2794816
Identiteit
2-(Hydroxymethyl)chroman
Niet vermeld · C10H12O2
01Identiteit
| Lazychem ID | LC-90840 |
|---|---|
| CAS RN | Niet vermeld |
| PubChem CID | 2794816 |
| Molecular formula | C10H12O2 |
| Molecular weight | 164.20 g/mol |
| IUPAC name | 3,4-dihydro-2H-chromen-2-ylmethanol |
| InChIKey | KDLVSGWUKFJFTL-UHFFFAOYSA-N |
02Structuur en stereochemie
2D structurePubChem CID 2794816
The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 2 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C1CC2=CC=CC=C2OC1CO |
|---|---|
| InChI | Niet vermeld |
03Stereochemistry
The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction
Published same-connectivity configurations
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Status in India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Namen en relaties
API en moedergeneesmiddel
Niet vermeld
Namen en relaties
06Bronnen
- S01PubChem CID 2794816
Structure and machine-readable chemical identifiers.