Cas no 914223-23-7 (2-(TERT-BUTOXYCARBONYL)-3,5-DIMETHYLBENZOIC ACID)
914223-23-7 structure
Product Name:2-(TERT-BUTOXYCARBONYL)-3,5-DIMETHYLBENZOIC ACID
CAS No:914223-23-7
MF:C14H18O4
MW:250.290324687958
CID:996391
PubChem ID:53423393
Update Time:2025-04-20
2-(TERT-BUTOXYCARBONYL)-3,5-DIMETHYLBENZOIC ACID Chemical and Physical Properties
Names and Identifiers
-
- 2-(TERT-BUTOXYCARBONYL)-3,5-DIMETHYLBENZOIC ACID
- 3,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
- 914223-23-7
- 2-(TERT-BUTOXYCARBONYL)-3,5-DIMETHYLBENZOICACID
- DTXSID90698314
-
- Inchi： 1S/C14H18O4/c1-8-6-9(2)11(10(7-8)12(15)16)13(17)18-14(3,4)5/h6-7H,1-5H3,(H,15,16)
- InChI Key： VTEODHYJQGQWQB-UHFFFAOYSA-N
- SMILES： O(C(C1C(C(=O)O)=CC(C)=CC=1C)=O)C(C)(C)C
Computed Properties
- Exact Mass: 250.12100
- Monoisotopic Mass: 250.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 329
- 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: 3
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.60000
- LogP: 2.95690
2-(TERT-BUTOXYCARBONYL)-3,5-DIMETHYLBENZOIC ACID Related Literature
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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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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
914223-23-7 (2-(TERT-BUTOXYCARBONYL)-3,5-DIMETHYLBENZOIC ACID) Related Products
- 13756-42-8(tert-Butyl 4-Methylbenzoate)
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- 143726-85-6(Tert-Butyl 4-(hydroxymethyl)benzoate)
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- 30448-43-2(1,2-Benzenedicarboxylicacid, 1,2-bis(1,1-dimethylethyl) ester)
- 35118-50-4(Monoisopropyl Phthalate)
- 20576-82-3(Mono-tert-Butyl Terephthalate)
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