Cas no 922735-23-7 (Butanenitrile, 3-hydroxy-4-[(4-methylphenyl)methoxy]-)
![Butanenitrile, 3-hydroxy-4-[(4-methylphenyl)methoxy]- structure](https://ossimg.kuujia.com/scimg/923000/922735-23-7x500.png)
922735-23-7 structure
Product Name:Butanenitrile, 3-hydroxy-4-[(4-methylphenyl)methoxy]-
CAS No:922735-23-7
MF:C12H15NO2
MW:205.253003358841
CID:739243
PubChem ID:71446150
Update Time:2025-04-19
Butanenitrile, 3-hydroxy-4-[(4-methylphenyl)methoxy]- Chemical and Physical Properties
Names and Identifiers
-
- Butanenitrile, 3-hydroxy-4-[(4-methylphenyl)methoxy]-
- 3-hydroxy-4-[(4-methylphenyl)methoxy]butanenitrile
- DTXSID80854649
- 922735-23-7
-
- Inchi： 1S/C12H15NO2/c1-10-2-4-11(5-3-10)8-15-9-12(14)6-7-13/h2-5,12,14H,6,8-9H2,1H3
- InChI Key： BYFNKXKGWNBNCK-UHFFFAOYSA-N
- SMILES： O(CC1C=CC(C)=CC=1)CC(CC#N)O
Computed Properties
- Exact Mass: 205.110278721g/mol
- Monoisotopic Mass: 205.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 213
- 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: 53.2?2
Butanenitrile, 3-hydroxy-4-[(4-methylphenyl)methoxy]- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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