trans-1,2-Indandiol

HCID 247603CAS 4647-43-2

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

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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