| CAS Number | 1955540-23-4 |
| Catalog Number | AG01B5F3 |
| Chemical Name | 2-[7-(methoxycarbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid |
| IUPAC Name | 2-(7-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid |
| InChI | InChI=1S/C14H16O4/c1-18-14(17)11-6-5-9-3-2-4-10(8-13(15)16)12(9)7-11/h5-7,10H,2-4,8H2,1H3,(H,15,16) |
| InChI Key | FDQUTDCTRXZYFY-UHFFFAOYSA-N |
| MDL Number | MFCD30181057 |
| Molecular Formula | C14H16O4 |
| Molecular Weight | 248.2744 |
| SMILES | COC(C1=CC2=C(CCCC2CC(O)=O)C=C1)=O |
| Synonyms | 2-[7-(methoxycarbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid,
1955540-23-4,
AKOS033934673,
Z2517097776,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.278g/mol |
| Monoisotopic Mass | 248.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number