| CAS Number | 1018946-38-7 |
| Catalog Number | AG0005U5(AGN-PC-0WCY1L) |
| Chemical Name | Benzofuran, 2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)- |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-1-benzofuran |
| InChI | InChI=1S/C20H22O4/c1-21-10-4-5-14-6-8-17-16(11-14)13-19(24-17)15-7-9-18(22-2)20(12-15)23-3/h6-9,11-13H,4-5,10H2,1-3H3 |
| InChI Key | CUEPJIGXQLIOIK-UHFFFAOYSA-N |
| MDL Number | MFCD22665705 |
| Molecular Formula | C20H22O4 |
| Molecular Weight | 326.3863 |
| SMILES | COCCCC1=CC=C(OC(C2=CC=C(OC)C(OC)=C2)=C3)C3=C1 |
| UNII | WN8TEM4Q1F |
| Synonyms | 2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)benzofuran,
SNU-0039,
DWK-1339,
1018946-38-7,
2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)benzofuran,
UNII-WN8TEM4Q1F,
WN8TEM4Q1F,
Benzofuran, 2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-,
SCHEMBL3002082,
CHEMBL4066961,
EX-A1942,
HY-14503,
CS-0003407,
2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl) benzofuran,
2-(3,4-dimethoxy-phenyl)-5-(3-methoxy-propyl)-benzofuran,
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| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.392g/mol |
| Monoisotopic Mass | 326.152g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 40.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number