Cas no 4998-58-7 (CID 346330)
CID 346330 structure
Product Name:CID 346330
CAS No:4998-58-7
MF:C19H22O4
MW:314.375586032867
CID:933014
PubChem ID:346330
Update Time:2025-04-19
CID 346330 Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3,9-tetramethoxy-6,7-dihydro-5H-dibenzo[5,3-b:3',1'-e][7]annulene
- 4998-58-7
- CHEMBL300733
- BDBM50409015
- DTXSID40323649
- NSC404530
- 3,4,5,13-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene
- NSC-404530
- CID 346330
-
- Inchi： 1S/C19H22O4/c1-20-14-8-9-15-12(10-14)6-5-7-13-11-16(21-2)18(22-3)19(23-4)17(13)15/h8-11H,5-7H2,1-4H3
- InChI Key： VBVBJXCHAOAGCK-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C(=CC2=C1C1C=CC(=CC=1CCC2)OC)OC)OC
Computed Properties
- Exact Mass: 314.152
- Monoisotopic Mass: 314.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 374
- 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: 4.3
- Topological Polar Surface Area: 36.9?2
Experimental Properties
- Density: 1.123
- Boiling Point: 478.6°C at 760 mmHg
- Flash Point: 156.5°C
- Refractive Index: 1.554
CID 346330 Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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