Cas no 97966-51-3 (Benzoic acid, 3-ethoxy-4-hydroxy-, methyl ester)
97966-51-3 structure
Product Name:Benzoic acid, 3-ethoxy-4-hydroxy-, methyl ester
CAS No:97966-51-3
MF:C10H12O4
MW:196.199883460999
CID:1992376
PubChem ID:18701970
Update Time:2025-04-21
Benzoic acid, 3-ethoxy-4-hydroxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-ethoxy-4-hydroxy-, methyl ester
- 97966-51-3
- 3-Ethoxy-4-hydroxy-benzoic acid methyl ester
- AKOS006293508
- SCHEMBL3573863
- FSYOMFADSJUQJN-UHFFFAOYSA-N
- DA-00079
-
- Inchi： 1S/C10H12O4/c1-3-14-9-6-7(10(12)13-2)4-5-8(9)11/h4-6,11H,3H2,1-2H3
- InChI Key： FSYOMFADSJUQJN-UHFFFAOYSA-N
- SMILES： O(CC)C1C(=CC=C(C(=O)OC)C=1)O
Computed Properties
- Exact Mass: 196.07355886Da
- Monoisotopic Mass: 196.07355886Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 193
- 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: 2.1
- Topological Polar Surface Area: 55.8?2
Benzoic acid, 3-ethoxy-4-hydroxy-, methyl ester 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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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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