Cas no 14216-34-3 (Benzoic acid,2-[(methoxycarbonyl)oxy]-)
![Benzoic acid,2-[(methoxycarbonyl)oxy]- structure](https://ossimg.kuujia.com/scimg/14500/14216-34-3x500.png)
14216-34-3 structure
Product Name:Benzoic acid,2-[(methoxycarbonyl)oxy]-
Benzoic acid,2-[(methoxycarbonyl)oxy]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-[(methoxycarbonyl)oxy]-
- 2-methoxycarbonyloxybenzoic acid
- 2-Methoxycarbonyloxy-benzoesaeure
- 2-methoxycarbonyloxy-benzoic acid
- AC1L1BFU
- Benzoic acid, 2-((methoxycarbonyl)oxy)-
- BRN 2110011
- BSPBio_002929
- Carbomethoxy-salicylsaeure
- CARBONIC ACID, METHYL ESTER, ESTER with SALICYLIC ACID
- Methoxycarbonyl-salicylsaeure
- o-Carboxyphenyl carbonic acid methyl ester
- Salicylsaeure-O-carbonsaeuremethylester
- SPECTRUM211363
- SureCN47856
- 14216-34-3
- IIHSMXMTENPGDE-UHFFFAOYSA-N
- AKOS004905055
- UNII-UI6KKA249B
- CHEMBL1530334
- UI6KKA249B
- 3-10-00-00105 (Beilstein Handbook Reference)
- DTXSID50161958
- Salicylic acid, methyl carbonate
- 2-((methoxycarbonyl)oxy)benzoic acid
- Benzoic acid, 2-[(methoxycarbonyl)oxy]-
- O-(Carbomethoxy)salicylic acid
- NCGC00095796-01
- NSC 89730
- SCHEMBL47856
- NCGC00095796-02
- NSC89730
- METHOXYCARBONYLSALICYLIC ACID
- NSC-89730
-
- Inchi： 1S/C9H8O5/c1-13-9(12)14-7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)
- InChI Key： IIHSMXMTENPGDE-UHFFFAOYSA-N
- SMILES： O(C(=O)OC)C1C=CC=CC=1C(=O)O
Computed Properties
- Exact Mass: 196.03714
- Monoisotopic Mass: 196.037
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 225
- 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: 1.6
- Topological Polar Surface Area: 72.8A^2
Experimental Properties
- Density: 1.343
- Boiling Point: 346.1°Cat760mmHg
- Flash Point: 140.9°C
- Refractive Index: 1.546
- PSA: 72.83
Benzoic acid,2-[(methoxycarbonyl)oxy]- Related Literature
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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