rac-ethyl (1R,2R)-2-(4-methoxyphenyl)cyclopropane-1-carboxylate

HCID 818082

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Basic information

CAS: 6142-64-9
Standard SMILES: CCOC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1
InChIKey: LNIFCHLLDTWCIH-NWDGAFQWSA-N
Molecular formula: C13H16O3
Average molar mass: 220.26 g/mol

Names & identifiers

Preferred name: rac-ethyl (1R,2R)-2-(4-methoxyphenyl)cyclopropane-1-carboxylate
IUPAC: trans-ethyl (1R,2R)-2-(4-methoxyphenyl)cyclopropane-1-carboxylate
English name: Cyclopropanecarboxylicacid, 2-(4-methoxyphenyl)-, ethyl ester, (1R,2R)-rel-
Molecular formula: C13H16O3
Molecular weight: 220.26

Names & synonyms

rac-ethyl (1R,2R)-2-(4-methoxyphenyl)cyclopropane-1-carboxylateRefChem:874444997-155-8207279-34-3ethyl (1R,2R)-2-(4-methoxyphenyl)cyclopropane-1-carboxylate6142-64-9TRANS-ETHYL 2-(4-METHOXYPHENYL)CYCLOPROPANECARBOXYLATEMFCD31696300Ethyl (1R,2R)-2-(4-Methoxyphenyl)cyclopropanecarboxylateEthyl(1R,2R)-2-(4-Methoxyphenyl)cyclopropanecarboxylate(1R,2R)-ethyl 2-(4-methoxyphenyl)cyclopropanecarboxylatetrans-ethyl-2-(4-methoxyphenyl)cyclopropane-1-carboxylate

Show more names

Ethyl trans-2-(4-Methoxyphenyl)cyclopropanecarboxylaterel-Ethyl (1R,2R)-2-(4-methoxyphenyl)cyclopropane-1-carboxylateCyclopropanecarboxylicacid, 2-(4-methoxyphenyl)-, ethyl ester, (1R,2R)-rel-

V-ethyl 2-(4-methoxyphenyl)cyclopropanecarboxylateSCHEMBL14244359YQF3957YQF4634LNIFCHLLDTWCIH-NWDGAFQWSA-NAC9184SY266136EN300-1718835

Database identifiers

CAS: 6142-64-9
PubChem CID: 818082
EC Number: 997-155-8
Nikkaji: J453.869B

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 244

Physicochemical properties

Melting point: 83 °C · 83 °C
Boiling point: 309.4 · 309.4±35.0 °C(Predicted)
Density: 1.126 · 1.126±0.06 g/cm3(Predicted)

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, P317, 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.