Cas no 32013-85-7 (2(5H)-Furanone,5-(2-hydroxyethylidene)-4-(hydroxymethyl)-)
32013-85-7 structure
Product Name:2(5H)-Furanone,5-(2-hydroxyethylidene)-4-(hydroxymethyl)-
CAS No:32013-85-7
MF:C7H8O4
MW:156.136022567749
CID:308106
PubChem ID:6440900
Update Time:2025-04-19
2(5H)-Furanone,5-(2-hydroxyethylidene)-4-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2(5H)-Furanone,5-(2-hydroxyethylidene)-4-(hydroxymethyl)-
- (5E)-5-(2-hydroxyethylidene)-4-(hydroxymethyl)furan-2-one
- Ascladiol
- (5E)-5-(2-hydroxyethylidene)-4-(hydroxymethyl)furan-2(5H)-one
- CHEBI:145112
- 2R4H5L9HF9
- Q27891367
- UNII-2R4H5L9HF9
- 81183-44-0
- 2(5H)-Furanone, 5-(2-hydroxyethylidene)-4-(hydroxymethyl)-
- 32013-85-7
- (E)-ascladiol
- Ascladiol, (E)-
-
- Inchi： 1S/C7H8O4/c8-2-1-6-5(4-9)3-7(10)11-6/h1,3,8-9H,2,4H2/b6-1+
- InChI Key： HLJKDERCZVTVSN-LZCJLJQNSA-N
- SMILES： O1C(C=C(CO)/C/1=C\CO)=O
Computed Properties
- Exact Mass: 156.04224
- Monoisotopic Mass: 156.042259
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 227
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66.8
- XLogP3: -1.5
Experimental Properties
- Density: 1.548
- Melting Point: 64 oC
- Boiling Point: 440.1°Cat760mmHg
- Flash Point: 191.7°C
- Refractive Index: 1.687
- PSA: 66.76
- LogP: -0.66190
2(5H)-Furanone,5-(2-hydroxyethylidene)-4-(hydroxymethyl)- Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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