| CAS Number | 256439-83-5 |
| Catalog Number | AG00IPNV(AGN-PC-0WAUIQ) |
| Chemical Name | methyl (2E)-3-(1-benzofuran-2-yl)prop-2-enoate |
| IUPAC Name | methyl (E)-3-(1-benzofuran-2-yl)prop-2-enoate |
| InChI | InChI=1S/C12H10O3/c1-14-12(13)7-6-10-8-9-4-2-3-5-11(9)15-10/h2-8H,1H3/b7-6+ |
| InChI Key | AEIWLZWROAICTP-VOTSOKGWSA-N |
| MDL Number | MFCD00231969 |
| Molecular Formula | C12H10O3 |
| Molecular Weight | 202.2060 |
| SMILES | COC(/C=C/C1OC2=C(C=CC=C2)C=1)=O |
| Synonyms | 256439-83-5,
AC1LRXXO,
methyl (2E)-3-(1-benzofuran-2-yl)prop-2-enoate,
(2E)-methyl 3-(2-benzofuranyl)propenoate,
SCHEMBL6070869,
HMS1366G13,
ZINC1392014,
MFCD00231969,
AKOS005094122,
AKOS023502164,
3-(Benzofuran-2-yl)acrylic acid methyl ester,
J3.502.669J,
5K-024,
(E)-3-(Benzofuran-2-yl)acrylic acid methyl ester,
methyl (E)-3-(1-benzofuran-2-yl)prop-2-enoate,
475481-32-4,
ZINC01392014,
CID1479262,
methyl 3-(1-benzofuran-2-yl)acrylate,
3-BENZOFURAN-2-YL-ACRYLIC ACID METHYL ESTER,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 202.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.209g/mol |
| Monoisotopic Mass | 202.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number