Cas no 19776-79-5 (2H-Pyran-2-carboxylicacid, 5-ethyltetrahydro-2,3-dimethyl-6-oxo- (9CI))
19776-79-5 structure
Product Name:2H-Pyran-2-carboxylicacid, 5-ethyltetrahydro-2,3-dimethyl-6-oxo- (9CI)
CAS No:19776-79-5
MF:C10H16O4
MW:200.231643676758
CID:192867
PubChem ID:539874
Update Time:2025-04-19
2H-Pyran-2-carboxylicacid, 5-ethyltetrahydro-2,3-dimethyl-6-oxo- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-2-carboxylicacid, 5-ethyltetrahydro-2,3-dimethyl-6-oxo- (9CI)
- 5-ethyl-2,3-dimethyl-6-oxooxane-2-carboxylic acid
- 2H-Pyran-2-carboxylic acid,5-ethyltetrahydro-2,3-dimethyl-6-oxo
- Clivonecicacid,tetrahydro
- Dihydrosyneilesinolid B
- Dihydrosyneilesinolide-B
- Tetrahydroclivonecicacid
- JACODINE
- SENECIPHYLLIN
- ALPHA-LONGILOBINE
- SCHEMBL2804462
- 2H-Pyran-2-carboxylic acid, 5-ethyltetrahydro-2,3-dimethyl-6-oxo-
- 5-Ethyl-2,3-dimethyl-6-oxotetrahydro-2H-pyran-2-carboxylic acid #
- 19776-82-0
- 5-ethyltetrahydro-2,3-dimethyl-6-oxo-2h-pyran-2-carboxylic acid
- SFIVAOKHDPXDRC-UHFFFAOYSA-N
- 19776-79-5
- 2H-Pyran-2-carboxylic acid, 5-ethyltetrahydro-2,3-dimethyl-6-oxo-, (2S)-
- Clivonecic acid, tetrahydro-
- FT-0645048
- DTXSID70337198
-
- Inchi： 1S/C10H16O4/c1-4-7-5-6(2)10(3,9(12)13)14-8(7)11/h6-7H,4-5H2,1-3H3,(H,12,13)
- InChI Key： SFIVAOKHDPXDRC-UHFFFAOYSA-N
- SMILES： O1C(C(CC)CC(C)C1(C(=O)O)C)=O
Computed Properties
- Exact Mass: 333.15800
- Monoisotopic Mass: 200.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 261
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- Color/Form: 無臭 發(fā)白的固體
- Melting Point: 217-218°C (Lit.)
- PSA: 76.07000
- LogP: 1.05080
2H-Pyran-2-carboxylicacid, 5-ethyltetrahydro-2,3-dimethyl-6-oxo- (9CI) Security Information
- Hazardous Material transportation number：UN 1544
-
Hazardous Material Identification：
- Risk Phrases：R23/24/25
2H-Pyran-2-carboxylicacid, 5-ethyltetrahydro-2,3-dimethyl-6-oxo- (9CI) Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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