Cas no 137150-49-3 (3-(2-hydroxy-4-propanoylphenoxy)propanoic acid)
137150-49-3 structure
Product Name:3-(2-hydroxy-4-propanoylphenoxy)propanoic acid
CAS No:137150-49-3
MF:C12H14O5
MW:238.236564159393
CID:1242734
PubChem ID:3071493
Update Time:2025-04-20
3-(2-hydroxy-4-propanoylphenoxy)propanoic acid Chemical and Physical Properties
Names and Identifiers
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- 3-(2-hydroxy-4-propanoylphenoxy)propanoic acid
- 137150-49-3
- 3-(2-Hydroxy-5-(1-oxopropyl)phenoxy)propanoic acid
- Propanoic acid, 3-(2-hydroxy-5-(1-oxopropyl)phenoxy)-
- DTXSID10160088
-
- Inchi： 1S/C12H14O5/c1-2-9(13)8-3-4-11(10(14)7-8)17-6-5-12(15)16/h3-4,7,14H,2,5-6H2,1H3,(H,15,16)
- InChI Key： IWFMBEADTWZVJP-UHFFFAOYSA-N
- SMILES： O(CCC(=O)O)C1C=CC(C(CC)=O)=CC=1O
Computed Properties
- Exact Mass: 238.08412
- Monoisotopic Mass: 238.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 276
- 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: 1.2
- Topological Polar Surface Area: 83.8?2
Experimental Properties
- PSA: 83.83
3-(2-hydroxy-4-propanoylphenoxy)propanoic acid Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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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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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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