| CAS Number | 68254-80-8 |
| Catalog Number | AG00FHO6(AGN-PC-05EVV9) |
| Chemical Name | 2-(6-Methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid |
| IUPAC Name | 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid |
| InChI | InChI=1S/C13H16O3/c1-16-11-5-6-12-9(7-11)3-2-4-10(12)8-13(14)15/h5-7,10H,2-4,8H2,1H3,(H,14,15) |
| InChI Key | XSGCUQLKTRSCDY-UHFFFAOYSA-N |
| MDL Number | MFCD11172884 |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.2643 |
| SMILES | COC1=CC2=C(C(CCC2)CC(O)=O)C=C1 |
| Synonyms | 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic Acid,
68254-80-8,
AC1Q4ESL,
SCHEMBL1430487,
CHEMBL3454299,
CTK7A8272,
AKOS009219152,
MCULE-4900466000,
NE40148,
DA-04339,
FT-0728112,
EN300-54585,
(6-Methoxy-1,2,3,4-tetrahydro-1-naphthalenyl)acetic acid,
CID10536899,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.268g/mol |
| Monoisotopic Mass | 220.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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