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1-(6-Methoxy-2-benzofuranyl)ethanone

HCID 40541
NotesReactions

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Basic information

CAS
52814-92-3
Standard SMILES
COc1ccc2cc(C(C)=O)oc2c1
InChIKey
HRRSGAXMWLEMKX-UHFFFAOYSA-N
Molecular formula
C11H10O3
Average molar mass
190.19 g/mol
Monoisotopic mass
190.06299418

Names & identifiers

Preferred name
1-(6-Methoxy-2-benzofuranyl)ethanone
IUPAC
1-(6-methoxy-1-benzofuran-2-yl)ethanone
English name
1-(6-Methoxy-2-benzofuranyl)ethanone
Molecular formula
C11H10O3
Molecular weight
190.2

Names & synonyms

52814-92-31-(6-Methoxy-2-benzofuranyl)ethanone1-(6-Methoxybenzofuran-2-yl)ethan-1-one1-(6-methoxy-1-benzofuran-2-yl)ethan-1-one1-(6-methoxy-1-benzofuran-2-yl)ethanoneEthanone, 1-(6-methoxy-2-benzofuranyl)-1-(6-methoxybenzofuran-2-yl)ethanoneBRN 01458016-Methoxy-2-benzofuranyl methyl ketone6-Methoxy-2-acetylcumaronKETONE, 6-METHOXY-2-BENZOFURANYL METHYLEthanone, 1-(6-methoxy-2-benzofuranyl)- (9CI)
Show more names
2-acetyl-6-methoxybenzofuran2-acetyl-6-methoxy-benzofuranSCHEMBL1287537DTXSID70200792HRRSGAXMWLEMKX-UHFFFAOYSA-NCCA81492MFCD01716425AKOS010513174

Database identifiers

CAS
52814-92-3
PubChem CID
40541
DTXSID
DTXSID70200792
Nikkaji
J71.230B

Properties

Computed structural propertiesFilling in

XLogP
2.3
Topological polar surface area
39.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
227

Physicochemical properties

Melting point
97 · 97-99 °C
Boiling point
285.69 °C · 285.69°C (rough estimate)
Density
1.1752 · 1.1752 (rough estimate)
refractive index
1.5854 · 1.5854 (estimate)

Chemistry & industry

Suppliers13 total

Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]
苏州维塔力生物医药有限公司512-68242903 13916956214 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
苏州朗行生物科技有限公司0512-62968256 18550502935 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
上海奈亦斯生物科技有限公司18321139117 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
Suzhou Laing Biotechnology Co.,Ltd+86-13004516015 +86-18149392822 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]

Related reactions

4 records
New reaction record
HRID 1150300 reaction equation
HRID 1150300As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1209444 reaction equation
HRID 1209444As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2112286 reaction equation
HRID 2112286As reactantuspto-grants-2009_04
HRID 2112287 reaction equation
HRID 2112287As reactantuspto-grants-2009_04

Compound notes

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