Cas no 661481-13-6 (Propanoic acid, 3-(4-formyl-3-methylphenoxy)-)
661481-13-6 structure
Product Name:Propanoic acid, 3-(4-formyl-3-methylphenoxy)-
CAS No:661481-13-6
MF:C11H12O4
MW:208.210583686829
CID:1710459
PubChem ID:23077858
Update Time:2025-04-21
Propanoic acid, 3-(4-formyl-3-methylphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 3-(4-formyl-3-methylphenoxy)-
- 4-(2-carboxyethoxy)-2-methyl-benzaldehyde
- 3-(4-formyl-3-methylphenoxy)propanoic acid
- SCHEMBL3172535
- JMSDBPNENSOMRM-UHFFFAOYSA-N
- 4-(2-Carboxyethoxy)-2-methylbenzaldehyde
- 661481-13-6
- DB-377954
-
- Inchi： 1S/C11H12O4/c1-8-6-10(3-2-9(8)7-12)15-5-4-11(13)14/h2-3,6-7H,4-5H2,1H3,(H,13,14)
- InChI Key： JMSDBPNENSOMRM-UHFFFAOYSA-N
- SMILES： O(CCC(=O)O)C1=CC=C(C=O)C(C)=C1
Computed Properties
- Exact Mass: 208.07356
- Monoisotopic Mass: 208.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 227
- 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: 63.6?2
Experimental Properties
- PSA: 63.6
Propanoic acid, 3-(4-formyl-3-methylphenoxy)- Related Literature
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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
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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