Cas no 630117-59-8 (2H-Pyran-2-one, 6-[(1S)-1-hydroxypropyl]-4-methoxy-)
![2H-Pyran-2-one, 6-[(1S)-1-hydroxypropyl]-4-methoxy- structure](https://ossimg.kuujia.com/scimg/630500/630117-59-8x500.png)
630117-59-8 structure
Product Name:2H-Pyran-2-one, 6-[(1S)-1-hydroxypropyl]-4-methoxy-
CAS No:630117-59-8
MF:C9H12O4
MW:184.189183235168
CID:427670
PubChem ID:71381525
Update Time:2025-04-19
2H-Pyran-2-one, 6-[(1S)-1-hydroxypropyl]-4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-2-one, 6-[(1S)-1-hydroxypropyl]-4-methoxy-
- 6-[(1S)-1-hydroxypropyl]-4-methoxypyran-2-one
- 630117-59-8
- DTXSID40803971
- 6-[(1S)-1-Hydroxypropyl]-4-methoxy-2H-pyran-2-one
-
- Inchi： 1S/C9H12O4/c1-3-7(10)8-4-6(12-2)5-9(11)13-8/h4-5,7,10H,3H2,1-2H3/t7-/m0/s1
- InChI Key： FCFBQZNOJAXLQI-ZETCQYMHSA-N
- SMILES： O1C(C=C(C=C1[C@H](CC)O)OC)=O
Computed Properties
- Exact Mass: 184.07356
- Monoisotopic Mass: 184.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 265
- 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: 0.5
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
2H-Pyran-2-one, 6-[(1S)-1-hydroxypropyl]-4-methoxy- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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