Cas no 816456-21-0 (Benzoic acid, 2-hydroxy-5-(methoxymethoxy)-3,4-dimethyl- (9CI))
816456-21-0 structure
Product Name:Benzoic acid, 2-hydroxy-5-(methoxymethoxy)-3,4-dimethyl- (9CI)
CAS No:816456-21-0
MF:C11H14O5
MW:226.225863933563
CID:715513
PubChem ID:11390497
Update Time:2025-04-19
Benzoic acid, 2-hydroxy-5-(methoxymethoxy)-3,4-dimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2-hydroxy-5-(methoxymethoxy)-3,4-dimethyl- (9CI)
- 2-hydroxy-5-(methoxymethoxy)-3,4-dimethylbenzoic acid
- 2-hydroxy-5-methoxymethoxy-3,4-dimethylbenzoic acid
- MKIIZNXJJJJNRZ-UHFFFAOYSA
- MKIIZNXJJJJNRZ-UHFFFAOYSA-
- DTXSID20464403
- Benzoic acid,2-hydroxy-5-(methoxymethoxy)-3,4-dimethyl-(9ci)
- 816456-21-0
- InChI=1/C11H14O5/c1-6-7(2)10(12)8(11(13)14)4-9(6)16-5-15-3/h4,12H,5H2,1-3H3,(H,13,14)
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- Inchi： 1S/C11H14O5/c1-6-7(2)10(12)8(11(13)14)4-9(6)16-5-15-3/h4,12H,5H2,1-3H3,(H,13,14)
- InChI Key： MKIIZNXJJJJNRZ-UHFFFAOYSA-N
- SMILES： O(COC)C1=CC(C(=O)O)=C(C(C)=C1C)O
Computed Properties
- Exact Mass: 226.08400
- Monoisotopic Mass: 226.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 243
- 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: 2.3
- Topological Polar Surface Area: 76?2
Experimental Properties
- PSA: 75.99000
- LogP: 1.68990
Benzoic acid, 2-hydroxy-5-(methoxymethoxy)-3,4-dimethyl- (9CI) Related Literature
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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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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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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