Cas no 1030012-94-2 (4-(4-(Hydroxymethyl)-5-methylisoxazol-3-yl)benzonitrile)
1030012-94-2 structure
Product Name:4-(4-(Hydroxymethyl)-5-methylisoxazol-3-yl)benzonitrile
CAS No:1030012-94-2
MF:C12H10N2O2
MW:214.220002651215
CID:1084768
PubChem ID:57571455
Update Time:2025-04-20
4-(4-(Hydroxymethyl)-5-methylisoxazol-3-yl)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-(4-(Hydroxymethyl)-5-methylisoxazol-3-yl)benzonitrile
- 4-[4-(Hydroxymethyl)-5-methyl-1,2-oxazol-3-yl]benzonitrile
- 1030012-94-2
- SCHEMBL3825236
- DGPLGBDLHLOBCC-UHFFFAOYSA-N
- 3-(4-cyano-phenyl)-4-hydroxymethyl-5-methyl-isoxazole
-
- Inchi： 1S/C12H10N2O2/c1-8-11(7-15)12(14-16-8)10-4-2-9(6-13)3-5-10/h2-5,15H,7H2,1H3
- InChI Key： DGPLGBDLHLOBCC-UHFFFAOYSA-N
- SMILES： O1C(C)=C(CO)C(C2C=CC(C#N)=CC=2)=N1
Computed Properties
- Exact Mass: 214.074228g/mol
- Monoisotopic Mass: 214.074228g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 278
- 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
- Molecular Weight: 214.22g/mol
- XLogP3: 1.3
- Topological Polar Surface Area: 70?2
4-(4-(Hydroxymethyl)-5-methylisoxazol-3-yl)benzonitrile Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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