| CAS Number | 226916-17-2 |
| Catalog Number | AG01DKAS(AGN-PC-0QZABH) |
| Chemical Name | methyl (2E)-3-{1,4-dioxaspiro[4.5]dec-7-en-7-yl}prop-2-enoate |
| IUPAC Name | methyl (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate |
| InChI | InChI=1S/C12H16O4/c1-14-11(13)5-4-10-3-2-6-12(9-10)15-7-8-16-12/h3-5H,2,6-9H2,1H3/b5-4+ |
| InChI Key | AXFWOFLOOPUESJ-SNAWJCMRSA-N |
| MDL Number | MFCD30471960 |
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.2530 |
| SMILES | COC(=O)C=CC1=CCCC2(C1)OCCO2 |
| Synonyms | 226916-17-2,
(E)-Methyl 3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)acrylate,
3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)acrylic acid methyl ester,
MFCD30471960,
ZINC35087318,
AKOS030628244,
CS-0039525,
Methyl (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)acrylate,
N/A,
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| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 224.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.256g/mol |
| Monoisotopic Mass | 224.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number