(2E)-3-(4-(methoxycarbonyl)-5-methylfuran-2-yl)prop-2-enoic acid

HCID 9102272

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Basic information

CAS: 2415114-73-5
Standard SMILES: COC(=O)c1cc(/C=C/C(=O)O)oc1C
InChIKey: YSASBCPSKJYHQL-ONEGZZNKSA-N
Molecular formula: C10H10O5
Average molar mass: 210.18 g/mol
Monoisotopic mass: 210.05282342

Names & identifiers

Preferred name: (2E)-3-(4-(methoxycarbonyl)-5-methylfuran-2-yl)prop-2-enoic acid
IUPAC: (E)-3-(4-methoxycarbonyl-5-methylfuran-2-yl)prop-2-enoic acid

Names & synonyms

2415114-73-5(2E)-3-[4-(METHOXYCARBONYL)-5-METHYLFURAN-2-YL]PROP-2-ENOIC ACID(2E)-3-(4-(methoxycarbonyl)-5-methylfuran-2-yl)prop-2-enoic acidRefChem:396475889-476-63-[4-(methoxycarbonyl)-5-methylfuran-2-yl]prop-2-enoic acid773132-64-2(E)-3-(4-methoxycarbonyl-5-methylfuran-2-yl)prop-2-enoic acid3-(4-(Methoxycarbonyl)-5-methylfuran-2-yl)acrylic acid(E)-3-(4-(Methoxycarbonyl)-5-methylfuran-2-yl)acrylic acidHMS1773C19(2E)-3-[4-(methoxycarbonyl)-5-methylfuran-2-yl]prop-2-enoicacid

Show more names

AKOS009085918NCGC00328300-01CS-0262631CS-0368973EN300-23927EN300-833033G44683AB01323879-02

Database identifiers

CAS: 2415114-73-5
PubChem CID: 9102272
EC Number: 889-476-6

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 76.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 284

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Related reactions

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Compound notes

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