Cas no 61479-42-3 (Propanoic acid, 3-[(3,4-dihydro-4-oxo-2H-1-benzopyran-8-yl)oxy]-)
![Propanoic acid, 3-[(3,4-dihydro-4-oxo-2H-1-benzopyran-8-yl)oxy]- structure](https://ossimg.kuujia.com/scimg/61500/61479-42-3x500.png)
61479-42-3 structure
Product Name:Propanoic acid, 3-[(3,4-dihydro-4-oxo-2H-1-benzopyran-8-yl)oxy]-
CAS No:61479-42-3
MF:C12H12O5
MW:236.220684051514
CID:477857
PubChem ID:71395455
Update Time:2025-04-19
Propanoic acid, 3-[(3,4-dihydro-4-oxo-2H-1-benzopyran-8-yl)oxy]- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 3-[(3,4-dihydro-4-oxo-2H-1-benzopyran-8-yl)oxy]-
- 3-[(4-oxo-2,3-dihydrochromen-8-yl)oxy]propanoic acid
- 3-[(4-Oxo-3,4-dihydro-2H-1-benzopyran-8-yl)oxy]propanoic acid
- DTXSID50817069
- 61479-42-3
-
- Inchi： 1S/C12H12O5/c13-9-4-6-17-12-8(9)2-1-3-10(12)16-7-5-11(14)15/h1-3H,4-7H2,(H,14,15)
- InChI Key： ZWIHZNBWGGRYDT-UHFFFAOYSA-N
- SMILES： O1CCC(C2C=CC=C(C1=2)OCCC(=O)O)=O
Computed Properties
- Exact Mass: 236.06846
- Monoisotopic Mass: 236.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 301
- 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
- XLogP3: 0.8
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- PSA: 72.83
Propanoic acid, 3-[(3,4-dihydro-4-oxo-2H-1-benzopyran-8-yl)oxy]- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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