Methyl 2,2-Dimethyl-4-oxochroman-6-carboxylate - CAS 78507-90-1
Catalog: |
BB036181 |
Product Name: |
Methyl 2,2-Dimethyl-4-oxochroman-6-carboxylate |
CAS: |
78507-90-1 |
Synonyms: |
2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid methyl ester; methyl 2,2-dimethyl-4-oxo-3H-chromene-6-carboxylate |
IUPAC Name: | methyl 2,2-dimethyl-4-oxo-3H-chromene-6-carboxylate |
Description: | Methyl 2,2-Dimethyl-4-oxochroman-6-carboxylate (CAS# 78507-90-1 ) is a useful research chemical. |
Molecular Weight: | 234.25 |
Molecular Formula: | C13H14O4 |
Canonical SMILES: | CC1(CC(=O)C2=C(O1)C=CC(=C2)C(=O)OC)C |
InChI: | InChI=1S/C13H14O4/c1-13(2)7-10(14)9-6-8(12(15)16-3)4-5-11(9)17-13/h4-6H,7H2,1-3H3 |
InChI Key: | PWXLOONQXYGPGC-UHFFFAOYSA-N |
MDL: | MFCD17215742 |
LogP: | 2.21700 |
Publication Number | Title | Priority Date |
EP-2605658-A1 | Spiroxazolidinone compounds | 20100818 |
EP-2605658-B1 | Spiroxazolidinone compounds | 20100818 |
US-2013131042-A1 | Spiroxazolidinone compounds | 20100818 |
US-8742110-B2 | Spiroxazolidinone compounds | 20100818 |
WO-2012024183-A1 | Spiroxazolidinone compounds | 20100818 |
Complexity: | 334 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.08920892 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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