Cas no 62254-53-9 (Ethanol, 2-propoxy-, benzoate)
Ethanol, 2-propoxy-, benzoate structure
Product Name:Ethanol, 2-propoxy-, benzoate
CAS No:62254-53-9
MF:C12H16O3
MW:208.253643989563
CID:452338
PubChem ID:12256825
Update Time:2025-04-19
Ethanol, 2-propoxy-, benzoate Chemical and Physical Properties
Names and Identifiers
-
- Ethanol, 2-propoxy-, benzoate
- benzoic acid,2-propoxyethanol
- 2-propoxyethyl benzoate
- starbld0016079
- SCHEMBL1919741
- 62254-53-9
-
- Inchi： 1S/C12H16O3/c1-2-8-14-9-10-15-12(13)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
- InChI Key： OALFAAFIQJBHRZ-UHFFFAOYSA-N
- SMILES： O(CCOC(C1C=CC=CC=1)=O)CCC
Computed Properties
- Exact Mass: 226.12054
- Monoisotopic Mass: 208.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 174
- 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: 2.7
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 66.76
Ethanol, 2-propoxy-, benzoate Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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