6,7,8,9-Tetrahydro-2,3-dimethoxy-9-oxo-5H-benzocycloheptene-5-carboxylic Acid - CAS 58774-26-8
Catalog: |
BB076740 |
Product Name: |
6,7,8,9-Tetrahydro-2,3-dimethoxy-9-oxo-5H-benzocycloheptene-5-carboxylic Acid |
CAS: |
58774-26-8 |
Synonyms: |
2,3-dimethoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-9-carboxylic acid; 2,3-dimethoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylic acid; 6,7,8,9-Tetrahydro-2,3-dimethoxy-9-oxo-5H-benzocycloheptene-5-carboxylic Acid |
IUPAC Name: | 2,3-dimethoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-9-carboxylic acid |
Description: | 6,7,8,9-Tetrahydro-2,3-dimethoxy-9-oxo-5H-benzocycloheptene-5-carboxylic Acid is a derivative of diethyl phenylmalonate. |
Molecular Weight: | 264.27 |
Molecular Formula: | C14H16O5 |
Canonical SMILES: | COC1=C(C=C2C(=O)CCCC(C2=C1)C(=O)O)OC |
InChI: | InChI=1S/C14H16O5/c1-18-12-6-9-8(14(16)17)4-3-5-11(15)10(9)7-13(12)19-2/h6-8H,3-5H2,1-2H3,(H,16,17) |
InChI Key: | FMLQWOGAUHAOMM-UHFFFAOYSA-N |
References: | Askam, V., et al. J. Chem. Soc. Perkin. Trans. Org. Bio-Org. Chem., 1, 1263 (1977); Askam, V., et al. J. Chem. Soc., Chem. Comm., 19, 798 (1975). |
Complexity: | 354 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.09977361 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.09977361 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
-
Catalog: BB055105
((2R,5S,10aS,10bS)-5-Benzyl-8,10b-bis(benzyloxy)-2-methyl-3,6-dioxooctahydro-2H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)carbamic Acid Benzyl Ester
Detail
-
Catalog: BB069926
((2R,4R)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB075348
((2S,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate, sodium salt
Detail
-
Catalog: BB056966
(((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-3a-yl)methyl)-L-arginine
Detail
-
Catalog: BB069928
((2S,4R)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB069927
((2R,4S)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB069924
((2S,4S)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB074488
((1R,3R)-3-Amino-cyclopentyl)-carbamic Acid tert-Butyl Ester
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS