Cas no 5707-96-0 ( )
structure
Product Name:
CAS No:5707-96-0
MF:C21H16O6
MW:364.348146438599
CID:946458
PubChem ID:122805
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 5-(3,4-dimethoxyphenyl)-6H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
- 9-(3,4-Dimethoxy-phenyl)-8-H-furo(3',4':6,7)naphtho(2,3-d)(1,3)dioxol-6-one
- 9-(3,4-dimethoxy-phenyl)-8H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6-one
- 9-(3,4-Dimethoxy-phenyl)-8-H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6-one
- 9-(3,4-dimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8h)-one
- AC1L3VAF
- AC1Q6P3N
- NSC254665
- Retrochinensin
- Retrochinesin
- UNII-RQQ8T34V5F
- NCI60_002042
- FPB7483LCY
- FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(8H)-ONE, 9-(3,4-DIMETHOXYPHENYL)-
- DTXSID80972539
- NAPHTHO(2,3-D)-1,3-DIOXOLE-6-CARBOXYLIC ACID, 8-(3,4-DIMETHOXYPHENYL)-7-(HYDROXYMETHYL)-, .GAMMA.-LACTONE
- 9-(3,4-Dimethoxyphenyl)-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one
- 9-(3,4-DIMETHOXYPHENYL)FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(8H)-ONE
- CHEMBL440125
- NSC 254665
- 9-(3,4-Dimethoxy-phenyl)-8H-furo[3'',4'':6,7]naphtho[2,3-d][1,3]dioxol-6-one
- 5-(3,4-dimethoxyphenyl)-6H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
- 5707-96-0
- NSC-254665
- UNII-FPB7483LCY
- BDBM50280960
-
-
- Inchi: 1S/C21H16O6/c1-23-16-4-3-11(6-17(16)24-2)20-13-8-19-18(26-10-27-19)7-12(13)5-14-15(20)9-25-21(14)22/h3-8H,9-10H2,1-2H3
- InChI Key: YYPFAIGJJDNPII-UHFFFAOYSA-N
- SMILES: O1C(C2=CC3C=C4C(=CC=3C(C3C=CC(=C(C=3)OC)OC)=C2C1)OCO4)=O
Computed Properties
- Exact Mass: 364.09468
- Monoisotopic Mass: 364.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 3
- Complexity: 567
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.2A^2
- XLogP3: 4
Experimental Properties
- Density: 1.4
- Boiling Point: 661.4°C at 760 mmHg
- Flash Point: 290.9°C
- Refractive Index: 1.652
- PSA: 63.22
- LogP: 3.92310
Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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