Basic information
- CAS
77513-58-7- Standard SMILES
CCOC(=O)C1CCOC1=O- InChIKey
JVRMSXLSEPWFIT-UHFFFAOYSA-N- Molecular formula
- C7H10O4
- Average molar mass
- 158.15 g/mol
- Monoisotopic mass
- 158.0579088
Names & identifiers
- Preferred name
- 3-Furancarboxylic acid, tetrahydro-2-oxo-, ethyl ester
- IUPAC
- ethyl 2-oxooxolane-3-carboxylate
- English name
- ethyl (±)-tetrahydro-2-oxo-3-furoate
- Molecular formula
- C7H10O4
- Molecular weight
- 158.15
Names & synonyms
936-13-03-Furancarboxylic acid, tetrahydro-2-oxo-, ethyl esterRefChem:1067861ethyl 2-oxotetrahydrofuran-3-carboxylate77513-58-7ethyl 2-oxooxolane-3-carboxylateCarbethoxybutyrolactoneMFCD01725680BRN 0130517Tetrahydro-2-oxo-3-furoic acid ethyl ester3-Furoic acid, tetrahydro-2-oxo-, ethyl esterEthyl tetrahydro-2-oxo-3-furancarboxylate
Show more names
ethyl (±)-tetrahydro-2-oxo-3-furoateethyl (±)-tetrahydro-2-oxo-3-furoateethyl tetrahydro-2-oxofuran-3-carboxylate2-Thiopheneaceticacid,7-bromo-α-oxo-,ethylesterethyl 2-oxotetrahydrofuran-3-carboxylate77513-58-7(2S)-2-amino-3-(4-prop-7-enoxyphenyl)propanoicacid(±)-Tetrahydro-2-oxo-3-furancarboxylic acid ethyl ester
ethyl (+/-)-tetrahydro-2-oxo-3-furoate5-18-08-00005 (Beilstein Handbook Reference)SCHEMBL7370611DTXSID60918298JVRMSXLSEPWFIT-UHFFFAOYSA-NEthyl tetrahydro-2-oxo-3-furancarboxAKOS022182655ethyl2-oxotetrahydrofuran-3-carboxylate
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 140 °C · 140 °C(Press: 10 Torr)
- Density
- 1.187 g/cm3 · 1.1870 g/cm3(Temp: 17 °C)
- storage temp.
- 2 · 2-8°C
- pka
- 13.15 · 13.15±0.20(Predicted)
- Appearance
- Colorless to light yellow Liquid
Chemistry & industry
Suppliers20 total
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海常丰生物医药科技有限公司+86-021-61727342 13611721451 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
迈奇化学股份有限公司15660870300 15737400781 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
盐城康迪森医药科技有限公司13812573443;18052965989 · [email protected]
常州平博医药研发有限公司086-0519-83990708 18915800124 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…