| CAS Number | 21493-98-1 |
| Catalog Number | AG00BES1(AGN-PC-0KR6U0) |
| Chemical Name | (4-ethoxyphenyl)(2-furyl)methanone |
| IUPAC Name | (4-ethoxyphenyl)-(furan-2-yl)methanone |
| InChI | InChI=1S/C13H12O3/c1-2-15-11-7-5-10(6-8-11)13(14)12-4-3-9-16-12/h3-9H,2H2,1H3 |
| InChI Key | ITBMRCNTZQFPOT-UHFFFAOYSA-N |
| MDL Number | MFCD00094249 |
| Molecular Formula | C13H12O3 |
| Molecular Weight | 216.2326 |
| SMILES | C(C)OC1=CC=C(C=C1)C(=O)C=1OC=CC1 |
| Synonyms | 21493-98-1,
(4-ethoxyphenyl)(2-furyl)methanone,
(4-Ethoxyphenyl)(furan-2-yl)methanone,
CHEMBRDG-BB 9070486,
AC1MLUJE,
AC1Q367G,
ZINC400140,
2-[(4-ethoxyphenyl)carbonyl]furan,
ZX-CM017852,
MFCD00094249,
4-ETHOXYPHENYL 2-FURYL KETONE,
AKOS009505615,
MCULE-8396783908,
ACM21493981,
(4-ethoxyphenyl)-(furan-2-yl)methanone,
AJ-21776,
W-6463,
CHEMBRDG-BB9070486,
(4-ethoxyphenyl)-(2-furyl)methanone,
CID3250756,
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| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.236g/mol |
| Monoisotopic Mass | 216.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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