2,3-dihydro-1H-indene-5-carboxylic acid

HCID 232841

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Basic information

CAS: 65898-38-6
Standard SMILES: O=C(O)c1ccc2c(c1)CCC2
InChIKey: FOJQJDBJBNEHTO-UHFFFAOYSA-N
Molecular formula: C10H10O2
Average molar mass: 162.18 g/mol
Monoisotopic mass: 162.06807956

Names & identifiers

Preferred name: 2,3-dihydro-1H-indene-5-carboxylic acid
IUPAC: 2,3-dihydro-1H-indene-5-carboxylic acid
English name: Indan-5-carboxylic acid
Molecular formula: C10H10O2
Molecular weight: 162.19

Names & synonyms

2,3-dihydro-1H-indene-5-carboxylic acidRefChem:442236837-795-6Indan-5-carboxylic acid65898-38-6indane-5-carboxylic acid5-indanecarboxylic acid1H-Indene-5-carboxylic acid, 2,3-dihydro-5-Indancarboxylic acidMFCD04038659NSC-766575-carboxyindane

Show more names

TIMTEC-BB SBB010435ASINEX-REAG BAS 129685135-indanecarboxylic acid(SALTDATA: FREE)1H-INDENE-5-CARBOXYLIC ACID, 2,3-DIHYDRO

4NNV97UV8MMLS000716633SCHEMBL485369SCHEMBL3614078SCHEMBL6592474SCHEMBL7474144CHEMBL1545957SCHEMBL28141355

Database identifiers

CAS: 65898-38-6
PubChem CID: 232841
DTXSID: DTXSID70283282
ChEMBL: CHEMBL1545957
UNII: 4NNV97UV8M
EC Number: 837-795-6
Nikkaji: J3.642.246G

Properties

Computed structural properties

XLogP: 2.3
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: 188

Physicochemical properties

Melting point: 184 °C · 184 °C
Boiling point: 126 · 126-128 °C(Press: 0.6 Torr)
Density: 1.237 · 1.237±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 4.44 · 4.44±0.20(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.