Cas no 81017-23-4 (2H-1-Benzopyran-3-carboxylicacid, 7-(acetyloxy)-2-oxo-)
81017-23-4 structure
Product Name:2H-1-Benzopyran-3-carboxylicacid, 7-(acetyloxy)-2-oxo-
CAS No:81017-23-4
MF:C12H8O6
MW:248.188323974609
CID:707955
PubChem ID:688599
Update Time:2025-04-19
2H-1-Benzopyran-3-carboxylicacid, 7-(acetyloxy)-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-3-carboxylicacid, 7-(acetyloxy)-2-oxo-
- 7-acetyloxy-2-oxochromene-3-carboxylic acid
- 3-Carboxy-7-acetoxycumarin
- 3-Carboxy-7-acetylcumarin
- 3-Carboxyumbelliferyl acetate
- 7-Acetoxy-2-oxo-2H-chromen-3-carbonsaeure
- 7-acetoxy-2-oxo-2H-chromene-3-carboxylic acid
- 7-acetoxycoumarin-3-carboxylic acid
- 7-acetyloxychromone-3-carboxylic acid
- I04-9756
- DTXSID00350911
- AS-69786
- 7-(acetyloxy)-2-oxo-2H-chromene-3-carboxylic acid
- 7-acetoxy-2-oxo-2H-chromene-3-carboxylicacid
- 81017-23-4
- FT-0641802
- SCHEMBL4101829
- AKOS015894375
- DB-056485
-
- Inchi： 1S/C12H8O6/c1-6(13)17-8-3-2-7-4-9(11(14)15)12(16)18-10(7)5-8/h2-5H,1H3,(H,14,15)
- InChI Key： JPSXXVSPZSKYBA-UHFFFAOYSA-N
- SMILES： O1C(C(C(=O)O)=CC2C=CC(=CC1=2)OC(C)=O)=O
Computed Properties
- Exact Mass: 248.03200
- Monoisotopic Mass: 248.03208797g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 424
- 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: 1.9
- Topological Polar Surface Area: 89.9?2
Experimental Properties
- Melting Point: 208?°C(lit.)
- Solubility: DMF: soluble
- PSA: 93.81000
- LogP: 1.41650
2H-1-Benzopyran-3-carboxylicacid, 7-(acetyloxy)-2-oxo- Security Information
- WGK Germany：3
- Safety Instruction： S22; S24/25
- FLUKA BRAND F CODES：8
- Storage Condition：2-8°C
2H-1-Benzopyran-3-carboxylicacid, 7-(acetyloxy)-2-oxo- Customs Data
- HS CODE：2932209090
- Customs Data：
China Customs Code:
2932209090Overview:
2932209090. Other lactones. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
2H-1-Benzopyran-3-carboxylicacid, 7-(acetyloxy)-2-oxo- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
81017-23-4 (2H-1-Benzopyran-3-carboxylicacid, 7-(acetyloxy)-2-oxo-) Related Products
- 6093-71-6(YZ9)
- 36044-49-2(Methyl 2H-chromene-3-carboxylate)
- 1846-76-0(Ethyl 3-coumarincarboxylate)
- 22649-28-1(2H-Chromene-3-carboxylic acid)
- 10242-13-4(2H-1-Benzopyran-3-carboxylicacid, 6-methyl-2-oxo-)
- 779-27-1(7-Hydroxycoumarin-3-carboxylic acid)
- 531-81-7(Coumarin-3-carboxylic acid)
- 20300-59-8(7-Methoxycoumarin-3-carboxylic acid)
- 2445-82-1(2H-1-Benzopyran-2-one,3-methyl-)
- 57543-58-5(Ethyl 2H-chromene-3-carboxylate)
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