Cas no 922735-29-3 (Butanenitrile, 3-hydroxy-4-[(4-methylphenyl)methoxy]-, (3S)-)
![Butanenitrile, 3-hydroxy-4-[(4-methylphenyl)methoxy]-, (3S)- structure](https://ossimg.kuujia.com/scimg/923000/922735-29-3x500.png)
922735-29-3 structure
Product Name:Butanenitrile, 3-hydroxy-4-[(4-methylphenyl)methoxy]-, (3S)-
CAS No:922735-29-3
MF:C12H15NO2
MW:205.253003358841
CID:739237
PubChem ID:71446144
Update Time:2025-04-19
Butanenitrile, 3-hydroxy-4-[(4-methylphenyl)methoxy]-, (3S)- Chemical and Physical Properties
Names and Identifiers
-
- Butanenitrile, 3-hydroxy-4-[(4-methylphenyl)methoxy]-, (3S)-
- 922735-29-3
- (3S)-3-Hydroxy-4-[(4-methylphenyl)methoxy]butanenitrile
- DTXSID20854643
-
- 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/t12-/m0/s1
- InChI Key： BYFNKXKGWNBNCK-LBPRGKRZSA-N
- SMILES： O(CC1C=CC(C)=CC=1)C[C@H](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: 1
- Undefined Atom Stereocenter Count : 0
- 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]-, (3S)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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