Basic information
- Standard SMILES
O[C@@H]1Cc2ccccc2[C@H]1O- InChIKey
YKXXBEOXRPZVCC-RKDXNWHRSA-N- Molecular formula
- C9H10O2
- Average molar mass
- 150.17 g/mol
Names & identifiers
- Preferred name
- trans-1,2-Indandiol
- IUPAC
- (1R,2R)-2,3-dihydro-1H-indene-1,2-diol
- English name
- (1R,2R)-Indan-1,2-diol, 97%
- Molecular formula
- C9H10O2
- Molecular weight
- 150.17
Names & synonyms
(1R,2R)-indan-1,2-diol67528-23-8(1R,2R)-2,3-dihydro-1H-indene-1,2-dioltrans-1,2-Indandiol(1~{r},2~{r})-2,3-Dihydro-1~{h}-Indene-1,2-Diol4647-43-2NSC62548rel-(1R,2R)-2,3-Dihydro-1H-indene-1,2-dioltrans-(1,2)-indandioltrans-(1r,2r)-indandiolKW2BA784TFtrans-(-)-1,2-indandiol
Show more names
(1R,2R)-Indan-1,2-diol, 97%1H-Indene-1,2-diol, 2,3-dihydro-, (1R,2R)-
(1R)-trans-1,2-Indandiol(1R,2R)indane-1,2-diolorb3170249SCHEMBL8049751trans-(+/-)-1,2-indandiolYKXXBEOXRPZVCC-RKDXNWHRSA-NFr14533(1R,2R)-trans-Indane-1,2-diol
Database identifiers
- CAS
4647-43-2、67528-23-8- PubChem CID
- 247603
- UNII
- KW2BA784TF
- Nikkaji
- J513.007G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Melting point
- 184 · 184-186 °C
- Boiling point
- 288.5 · 288.5±40.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- pka
- 13.7 · 13.70±0.40(Predicted)
Chemistry & industry
Suppliers2 total
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
Related reactions
13 records
Linked notes
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