Cas no 317319-45-2 (Benzeneacetonitrile,4-hydroxy-2-methyl-)
317319-45-2 structure
Product Name:Benzeneacetonitrile,4-hydroxy-2-methyl-
CAS No:317319-45-2
MF:C9H9NO
MW:147.173862218857
CID:301183
PubChem ID:22727976
Update Time:2025-04-19
Benzeneacetonitrile,4-hydroxy-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile,4-hydroxy-2-methyl-
- 4-Hydroxy-2-methylbenzylcyanide
- 2-(4-hydroxy-2-methylphenyl)acetonitrile
- DTXSID60627853
- (4-Hydroxy-2-methylphenyl)acetonitrile
- 317319-45-2
- SCHEMBL6262624
-
- Inchi： 1S/C9H9NO/c1-7-6-9(11)3-2-8(7)4-5-10/h2-3,6,11H,4H2,1H3
- InChI Key： WTDOOXGOVBKHHV-UHFFFAOYSA-N
- SMILES： OC1C=CC(CC#N)=C(C)C=1
Computed Properties
- Exact Mass: 147.06847
- Monoisotopic Mass: 147.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 170
- 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: 1.5
- Topological Polar Surface Area: 44?2
Experimental Properties
- PSA: 44.02
Benzeneacetonitrile,4-hydroxy-2-methyl- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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