Methyl 2-methyl-1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate - CAS 54125-61-0
Catalog: |
BB054417 |
Product Name: |
Methyl 2-methyl-1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate |
CAS: |
54125-61-0 |
Synonyms: |
methyl2-methyl-1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate |
IUPAC Name: | methyl 2-methyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate |
Molecular Weight: | 218.25 |
Molecular Formula: | C13H14O3 |
Canonical SMILES: | CC1(CCC2=CC=CC=C2C1=O)C(=O)OC |
InChI: | InChI=1S/C13H14O3/c1-13(12(15)16-2)8-7-9-5-3-4-6-10(9)11(13)14/h3-6H,7-8H2,1-2H3 |
InChI Key: | FNKMQHVHFCYAFM-UHFFFAOYSA-N |
Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.094294304 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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