CAS 26452-96-0 Methyl 2,3-dihydro-1H-indene-1-carboxylate (HCID 3839612)

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Basic information

CAS: 26452-96-0
Standard SMILES: COC(=O)C1CCc2ccccc21
InChIKey: JQCVEFYPCNDKFW-UHFFFAOYSA-N
Molecular formula: C11H12O2
Average molar mass: 176.21 g/mol
Monoisotopic mass: 176.08372962

Names & identifiers

Preferred name: Methyl 2,3-dihydro-1H-indene-1-carboxylate
IUPAC: methyl 2,3-dihydro-1H-indene-1-carboxylate
English name: METHYL INDANE-1-CARBOXYLATE
Molecular formula: C11H12O2
Molecular weight: 176.21

Names & synonyms

Methyl 2,3-dihydro-1H-indene-1-carboxylate26452-96-0DTXSID00397149RefChem:353607DTXCID30348008837-253-9METHYL INDANE-1-CARBOXYLATE1H-Indene-1-carboxylic acid, 2,3-dihydro-, methyl esterIndan-1-carboxylic acid methyl esterMethyl 1-indancarboxylateMethyl2,3-dihydro-1H-indene-1-carboxylateSCHEMBL1153666

Show more names

SCHEMBL6278782SCHEMBL15049706SCHEMBL29609016JQCVEFYPCNDKFW-UHFFFAOYSA-NBBA45296MFCD00967003indane-1-carboxylic acid methyl esterAKOS006237422

Database identifiers

CAS: 26452-96-0
PubChem CID: 3839612
DTXSID: DTXSID00397149
EC Number: 837-253-9
Nikkaji: J784.533B

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 200

Physicochemical properties

storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.