Cas no 95840-73-6 (2-Phenyl-1,4-butanediol)
2-Phenyl-1,4-butanediol structure
Product Name:2-Phenyl-1,4-butanediol
CAS No:95840-73-6
MF:C10H14O2
MW:166.216963291168
CID:751650
PubChem ID:12648498
Update Time:2024-03-01
2-Phenyl-1,4-butanediol Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Butanediol, 2-phenyl-, (R)-
- 2-Phenyl-1,4-butanediol
- 1,4-Butanediol, 2-phenyl-
- BVDKYMGISZDCIY-UHFFFAOYSA-N
-
- Inchi： 1S/C10H14O2/c11-7-6-10(8-12)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
- InChI Key： BVDKYMGISZDCIY-UHFFFAOYSA-N
- SMILES： OCC(C1C=CC=CC=1)CCO
Computed Properties
- Exact Mass: 166.099379685g/mol
- Monoisotopic Mass: 166.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 108
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.5
- XLogP3: 1
2-Phenyl-1,4-butanediol Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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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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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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