| CAS Number | 51849-37-7 |
| Catalog Number | AG00I9A2(AGN-PC-0NJ4AX) |
| Chemical Name | 2-Naphthalenecarboxylic acid, 3,4-dihydro-, methyl ester |
| IUPAC Name | methyl 3,4-dihydronaphthalene-2-carboxylate |
| InChI | InChI=1S/C12H12O2/c1-14-12(13)11-7-6-9-4-2-3-5-10(9)8-11/h2-5,8H,6-7H2,1H3 |
| InChI Key | JNMHWOYCAMVQRH-UHFFFAOYSA-N |
| MDL Number | MFCD28365684 |
| Molecular Formula | C12H12O2 |
| Molecular Weight | 188.2225 |
| SMILES | COC(=O)C1=Cc2ccccc2CC1 |
| Synonyms | Methyl 3,4-dihydronaphthalene-2-carboxylate,
51849-37-7,
2-Naphthalenecarboxylic acid, 3,4-dihydro-, methyl ester,
3,4-dihydronaphtalene-2-carboxylic acid methyl ester,
SCHEMBL7911204,
CTK1G3912,
DTXSID30499903,
JNMHWOYCAMVQRH-UHFFFAOYSA-N,
MFCD28365684,
ZINC39235577,
CS-0036272,
3,4-Dihydronaphthalene-2-carboxylic acid methyl ester,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.226g/mol |
| Monoisotopic Mass | 188.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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