Cas no 7596-76-1 ( )
structure
Product Name:
CAS No:7596-76-1
MF:C16H14O3
MW:254.280564785004
CID:982216
PubChem ID:348705
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-naphtho[2,1-b]furan-2-carboxylic acid ethyl ester; 2-carbetossi-1-metilnafto< 2,1-b> furano; 1-Methyl-naphtho[2,1-b]furan-2-carbonsaeure-aethylester; AC1L8A22; NSC408158;
- ethyl 1-methylbenzo[e][1]benzofuran-2-carboxylate
- NSC-408158
- NSC408158
- DTXSID20325000
- 7596-76-1
-
-
- Inchi： 1S/C16H14O3/c1-3-18-16(17)15-10(2)14-12-7-5-4-6-11(12)8-9-13(14)19-15/h4-9H,3H2,1-2H3
- InChI Key： FUAMYQDEYPSOOS-UHFFFAOYSA-N
- SMILES： O1C(C(=O)OCC)=C(C)C2=C1C=CC1C=CC=CC2=1
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: 3
- Complexity: 341
- 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: 4.5
- Topological Polar Surface Area: 39.4?2
Experimental Properties
- PSA: 39.44
Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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