Cas no 33886-26-9 ( )
structure
Product Name:
CAS No:33886-26-9
MF:C20H14O6
MW:350.321566104889
CID:918514
PubChem ID:231060
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- (5-benzoyloxy-4-oxopyran-2-yl)methyl benzoate
- 2-Benzoyloxymethyl-5-benzoyloxy-4H-pyran-4-on
- 5-Benzoyloxy-2-benzoyloxymethyl-4H-pyran-4-on
- 5-benzoyloxy-2-benzoyloxymethyl-4-pyrone
- 5-Benzoyloxy-2-benzoyloxymethyl-pyran-4-on
- 5-benzoyloxy-2-benzoyloxymethyl-pyran-4-one
- 6-[(benzoyloxy)methyl]-4-oxo-4h-pyran-3-yl benzoate
- 7-O-benzoylkojic acid
- AC1L5KVM
- AC1Q60FB
- AR-1H0601
- CTK4H1399
- Di-O-benzoylkojisaeure
- HMS3089F10
- NSC26559
- MLS002639137
- CHEMBL1897409
- DTXSID20282568
- 33886-26-9
- SMR001548588
- NSC-26559
-
-
- Inchi： 1S/C20H14O6/c21-17-11-16(12-25-19(22)14-7-3-1-4-8-14)24-13-18(17)26-20(23)15-9-5-2-6-10-15/h1-11,13H,12H2
- InChI Key： SPKAAOBGIQDSPR-UHFFFAOYSA-N
- SMILES： O1C=C(C(C=C1COC(C1C=CC=CC=1)=O)=O)OC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 350.07902
- Monoisotopic Mass: 350.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 7
- Complexity: 606
- 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
- XLogP3: 3.1
- Topological Polar Surface Area: 78.9?2
Experimental Properties
- Density: 1.35
- Boiling Point: 552.6°C at 760 mmHg
- Flash Point: 244.4°C
- Refractive Index: 1.627
- PSA: 78.9
- LogP: 3.21600
Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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