4-Hydroxy-2,3-dihydro-1H-indene-5-carbaldehyde

HCID 86643103

Notes Reactions

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Basic information

CAS: 1092553-18-8
Standard SMILES: O=Cc1ccc2c(c1O)CCC2
InChIKey: JJLVLYOYXXOOBF-UHFFFAOYSA-N
Molecular formula: C10H10O2
Average molar mass: 162.18 g/mol
Monoisotopic mass: 162.06807956

Names & identifiers

Preferred name: 4-Hydroxy-2,3-dihydro-1H-indene-5-carbaldehyde
IUPAC: 4-hydroxy-2,3-dihydro-1H-indene-5-carbaldehyde

Names & synonyms

4-Hydroxy-2,3-dihydro-1H-indene-5-carbaldehyde1092553-18-84-Hydroxy-indan-5-carbaldehydeMFCD16658627SCHEMBL8364494-hydroxyindane-5-carbaldehydeSCHEMBL29442687JJLVLYOYXXOOBF-UHFFFAOYSA-NDTXSID201236969AC2884AKOS037630929SY237243

Show more names

DB-3493692,3-Dihydro-4-hydroxy-1H-indene-5-carboxaldehyde

Database identifiers

CAS: 1092553-18-8
PubChem CID: 86643103
DTXSID: DTXSID201236969

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 179

Related reactions

9 records

New reaction record

HRID 151385As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 389316As productuspto-grants-2013_02

HRID 389317As reactantuspto-grants-2013_02

HRID 389318As reactantuspto-grants-2013_02

HRID 833837As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1099368As productuspto-grants-2012_03

HRID 1099369As reactantuspto-grants-2012_03

HRID 1099370As reactantuspto-grants-2012_03

Compound notes

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