Cas no 110333-12-5 (3-(4-methoxyphenyl)sulfinylpropanoic Acid)
110333-12-5 structure
Product Name:3-(4-methoxyphenyl)sulfinylpropanoic Acid
CAS No:110333-12-5
MF:C10H12O4S
MW:228.264882087708
CID:1193108
PubChem ID:18532998
Update Time:2025-04-20
3-(4-methoxyphenyl)sulfinylpropanoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 3-(4-methoxyphenyl)sulfinylpropanoic Acid
- 3-<
- 4-Methoxy-benzolsulfinyl>
- -propionsaeure
- 3-(4-Methoxy-benzolsulfinyl)-propionsaeure
- SureCN7080603
- Propanoic acid, 3-[(4-methoxyphenyl)sulfinyl]-
- ACMC-20md8y
- AKOS010555427
- <
- 2-Carboxy-aethyl>
- -<
- p-methoxy-phenyl>
- -sulfoxid
- CTK0G2179
- 3-(4-Methoxyphenylsulfinyl)propanoic Acid
- 3-< 4-Methoxy-benzolsulfinyl> -propionsaeure; 3-(4-Methoxy-benzolsulfinyl)-propionsaeure; SureCN7080603; Propanoic acid, 3-[(4-methoxyphenyl)sulfinyl]-; ACMC-20md8y; AKOS010555427; < 2-Carboxy-aethyl> -< p-methoxy-phenyl> -sulfoxid; CTK0G2179; 3-(4-Methoxyphenylsulfinyl)propanoic Acid;
- DTXSID30594866
- 110333-12-5
- SCHEMBL7080603
- 3-(4-Methoxybenzene-1-sulfinyl)propanoic acid
-
- Inchi： 1S/C10H12O4S/c1-14-8-2-4-9(5-3-8)15(13)7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
- InChI Key： HUAPPNLSFUBEIF-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)OC)(CCC(=O)O)=O
Computed Properties
- Exact Mass: 228.04566
- Monoisotopic Mass: 228.04563003g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 234
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 82.8?2
Experimental Properties
- PSA: 63.6
- LogP: 2.14320
3-(4-methoxyphenyl)sulfinylpropanoic Acid Related Literature
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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