Cas no 29021-82-7 (2-Butyne-1,4-diol,1-phenyl-)
2-Butyne-1,4-diol,1-phenyl- structure
Product Name:2-Butyne-1,4-diol,1-phenyl-
CAS No:29021-82-7
MF:C10H10O2
MW:162.185203075409
CID:263920
PubChem ID:284975
Update Time:2025-04-19
2-Butyne-1,4-diol,1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butyne-1,4-diol,1-phenyl-
- 1,4-dihydroxy-1-phenylbut-2-yne
- 1-Phenyl-2-butyne-1,4-diol
- 1-Phenyl-but-2-in-1,4-diol
- 1-phenylbut-2-yne-1,4-diol
- 1-phenyl-but-2-yne-1,4-diol
- 4-Phenyl-2-butyn-1,4-diol
- DTXSID10951630
- NSC141471
- SCHEMBL9547886
- CHEMBL3800492
- NSC-141471
- 29021-82-7
- AKOS005556947
-
- Inchi： 1S/C10H10O2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6,10-12H,8H2
- InChI Key： NBHKOXMOIRGJAI-UHFFFAOYSA-N
- SMILES： OC(C#CCO)C1C=CC=CC=1
Computed Properties
- Exact Mass: 162.0681
- Monoisotopic Mass: 162.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 181
- 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: 0.6
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
- LogP: 0.71570
2-Butyne-1,4-diol,1-phenyl- Related Literature
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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