Cas no 41248-80-0 (Isoxazole, 4-(3-methylpentyl)-, (S)- (9CI))
41248-80-0 structure
Product Name:Isoxazole, 4-(3-methylpentyl)-, (S)- (9CI)
CAS No:41248-80-0
MF:C9H15NO
MW:153.221502542496
CID:926776
Update Time:2022-07-26
Isoxazole, 4-(3-methylpentyl)-, (S)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Isoxazole, 4-(3-methylpentyl)-, (S)- (9CI)
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- Inchi： 1S/C9H15NO/c1-3-8(2)4-5-9-6-10-11-7-9/h6-8H,3-5H2,1-2H3/t8-/m0/s1
- InChI Key： KWFMVEFHQOAXIO-QMMMGPOBSA-N
- SMILES： O1C=C(CC[C@@H](C)CC)C=N1
Computed Properties
- Exact Mass: 153.115
- Monoisotopic Mass: 153.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 106
- 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
- Topological Polar Surface Area: 26A^2
Isoxazole, 4-(3-methylpentyl)-, (S)- (9CI) Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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