| CAS Number | 80858-95-3 |
| Catalog Number | AG00ID4W(AGN-PC-0NKAOJ) |
| Chemical Name | 6-Methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid |
| IUPAC Name | 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid |
| InChI | InChI=1S/C12H14O3/c1-15-9-5-6-10-8(7-9)3-2-4-11(10)12(13)14/h5-7,11H,2-4H2,1H3,(H,13,14) |
| InChI Key | WDLWRQYLECGUNU-UHFFFAOYSA-N |
| MDL Number | MFCD14602276 |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.2378 |
| SMILES | COC1=CC2=C(C(C(O)=O)CCC2)C=C1 |
| Synonyms | 6-Methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid,
80858-95-3,
SCHEMBL1844672,
WDLWRQYLECGUNU-UHFFFAOYSA-N,
MFCD14602276,
AKOS010488467,
NE56177,
AS-43742,
Z2510258278,
1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-6-methoxy-,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.241g/mol |
| Monoisotopic Mass | 206.094g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number