Cas no 240434-21-3 (1-(3-furanyl)-1,3-Propanediol)
1-(3-furanyl)-1,3-Propanediol structure
Product Name:1-(3-furanyl)-1,3-Propanediol
CAS No:240434-21-3
MF:C7H10O3
MW:142.152502536774
CID:1109606
PubChem ID:24777582
Update Time:2025-04-20
1-(3-furanyl)-1,3-Propanediol Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-furanyl)-1,3-Propanediol
- 240434-21-3
- (S)-1-(3-Furyl)-1,3-propanediol
- SY348775
- DA-07784
- SCHEMBL3196610
-
- Inchi： 1S/C7H10O3/c8-3-1-7(9)6-2-4-10-5-6/h2,4-5,7-9H,1,3H2
- InChI Key： SRCFLSHXORAAFT-UHFFFAOYSA-N
- SMILES： OC(C1=COC=C1)CCO
Computed Properties
- Exact Mass: 142.062994177g/mol
- Monoisotopic Mass: 142.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 94.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.2
- Topological Polar Surface Area: 53.6?2
1-(3-furanyl)-1,3-Propanediol Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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