Cas no 23003-00-1 (2-Dibenzofurancarboxylicacid, 1,4-dimethyl-, methyl ester)
23003-00-1 structure
Product Name:2-Dibenzofurancarboxylicacid, 1,4-dimethyl-, methyl ester
CAS No:23003-00-1
MF:C16H14O3
MW:254.280564785004
CID:268121
PubChem ID:269561
Update Time:2025-04-19
2-Dibenzofurancarboxylicacid, 1,4-dimethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Dibenzofurancarboxylicacid, 1,4-dimethyl-, methyl ester
- methyl 1,4-dimethyldibenzofuran-2-carboxylate
- AC1L6MQ0
- AC1Q5ZHQ
- AG-J-72768
- AR-1J4254
- CTK4F0666
- methyl 1,4-dimethyldibenzo[b,d]furan-2-carboxylate
- NSC110742
- NSC-110742
- 23003-00-1
- DTXSID70296675
-
- Inchi： 1S/C16H14O3/c1-9-8-12(16(17)18-3)10(2)14-11-6-4-5-7-13(11)19-15(9)14/h4-8H,1-3H3
- InChI Key： XWNYRHDKDHAQPM-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2C2C(C)=C(C(=O)OC)C=C(C)C1=2
Computed Properties
- Exact Mass: 254.09432
- Monoisotopic Mass: 254.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 354
- 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: 4.2
- Topological Polar Surface Area: 39.4?2
Experimental Properties
- PSA: 39.44
- LogP: 3.98940
2-Dibenzofurancarboxylicacid, 1,4-dimethyl-, methyl ester Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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