CAS 10242-08-7 5-Methoxybenzofuran-2-carboxylic acid (HCID 288638)

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Basic information

CAS: 10242-08-7
Standard SMILES: COc1ccc2oc(C(=O)O)cc2c1
InChIKey: XZELWEMGWISCTP-UHFFFAOYSA-N
Molecular formula: C10H8O4
Average molar mass: 192.17 g/mol
Monoisotopic mass: 192.04225873

Names & identifiers

Preferred name: 5-Methoxybenzofuran-2-carboxylic acid
IUPAC: 5-methoxy-1-benzofuran-2-carboxylic acid
English name: 5-Methoxybenzofuran-2-carboxylic acid
Molecular formula: C10H8O4
Molecular weight: 192.17

Names & synonyms

5-Methoxybenzofuran-2-carboxylic acid10242-08-7DTXSID40302272RefChem:536721DTXCID30253406674-150-65-methoxy-1-benzofuran-2-carboxylic acid2-benzofurancarboxylic acid, 5-methoxy-MFCD000797715-Methoxy-benzofuran-2-carboxylic acidNSC1499125-METHOXY-2-BENZOFURANCARBOXYLIC ACID

Show more names

AKOS BBS-00007942TIMTEC-BB SBB010862ASINEX-REAG BAS 03293533

NSC 1499125-methoxybenzo[b]furan-2-carboxylic acid2-Carboxy-5-methoxybenzofuranSCHEMBL335319SCHEMBL29527237SBB010862STK318149AKOS000104689

Database identifiers

CAS: 10242-08-7
PubChem CID: 288638
DTXSID: DTXSID40302272
EC Number: 674-150-6
Nikkaji: J1.653.127H

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 59.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 228

Physicochemical properties

Melting point: 212 °C · 212 °C
Boiling point: 352.4 · 352.4±22.0 °C(Predicted)
Density: 1.345 · 1.345±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: solid
pka: 3.06 · 3.06±0.30(Predicted)
Appearance: Off-white to light yellow Solid
InChI: InChI=1S/C10H8O4/c1-13-7-2-3-8-6(4-7)5-9(14-8)10(11)12/h2-5H,1H3,(H,11,12)
InChIKey: XZELWEMGWISCTP-UHFFFAOYSA-N
SMILES: O1C2=CC=C(OC)C=C2C=C1C(O)=O
CAS DataBase Reference: 10242 · 10242-08-7(CAS DataBase Reference)
UNSPSC Code: 12352106 · 12352106
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements

Safety & regulation

Safety data

wgk: WGK 3
hs_code: 2932990090
risk_code: 36/37/38-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H335-H315-H319
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P