Cas no 276884-28-7 (Benzenemethanol, a-ethynyl-4-hydroxy-)
276884-28-7 structure
Product Name:Benzenemethanol, a-ethynyl-4-hydroxy-
CAS No:276884-28-7
MF:C9H8O2
MW:148.158622741699
CID:248151
PubChem ID:18175630
Update Time:2025-04-19
Benzenemethanol, a-ethynyl-4-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, a-ethynyl-4-hydroxy-
- 4-(1-hydroxyprop-2-ynyl)phenol
- 3-Hydroxy-3-(4-hydroxyphenyl)-1-propyne
- IQGRDOOZCQXVIC-UHFFFAOYSA-N
- 4-(1-Hydroxyprop-2-yn-1-yl)phenol
- SCHEMBL6962580
- 276884-28-7
- Benzenemethanol, alpha-ethynyl-4-hydroxy- (9CI)
- DTXSID30592569
- BENZENEMETHANOL, ALPHA-ETHYNYL-4-HYDROXY-
-
- Inchi： 1S/C9H8O2/c1-2-9(11)7-3-5-8(10)6-4-7/h1,3-6,9-11H
- InChI Key： IQGRDOOZCQXVIC-UHFFFAOYSA-N
- SMILES： OC(C#C)C1C=CC(=CC=1)O
Computed Properties
- Exact Mass: 148.05244
- Monoisotopic Mass: 148.052429494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 160
- 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: 1
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
Benzenemethanol, a-ethynyl-4-hydroxy- Related Literature
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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