Cas no 66644-29-9 (Benzoic acid, 4-[(2S)-2-methylbutoxy]-)
![Benzoic acid, 4-[(2S)-2-methylbutoxy]- structure](https://ossimg.kuujia.com/scimg/67000/66644-29-9x500.png)
66644-29-9 structure
Product Name:Benzoic acid, 4-[(2S)-2-methylbutoxy]-
CAS No:66644-29-9
MF:C12H16O3
MW:208.253643989563
CID:396037
PubChem ID:35217958
Update Time:2025-04-19
Benzoic acid, 4-[(2S)-2-methylbutoxy]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-[(2S)-2-methylbutoxy]-
- 4-[(2S)-2-Methylbutoxy]benzoic acid
- 4-[(S)-2-Methylbutoxy]benzoic acid
- (S)-(+)-4-(2-Methylbutyloxy)benzoic acid
- ZVXVOVQIWRACRK-VIFPVBQESA-N
- SCHEMBL7696448
- DTXSID30653149
- 66644-29-9
-
- Inchi： 1S/C12H16O3/c1-3-9(2)8-15-11-6-4-10(5-7-11)12(13)14/h4-7,9H,3,8H2,1-2H3,(H,13,14)/t9-/m0/s1
- InChI Key： ZVXVOVQIWRACRK-VIFPVBQESA-N
- SMILES： O(C1C=CC(C(=O)O)=CC=1)C[C@@H](C)CC
Computed Properties
- Exact Mass: 208.10998
- Monoisotopic Mass: 208.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 195
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Benzoic acid, 4-[(2S)-2-methylbutoxy]- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
66644-29-9 (Benzoic acid, 4-[(2S)-2-methylbutoxy]-) Related Products
- 15872-43-2(4-(N-Nonyloxy)Benzoic Acid)
- 15872-44-3(4-Undecyloxybenzoic Acid)
- 15872-48-7(p-Hexadecyloxybenzoic Acid)
- 1498-96-0(4-Butoxybenzoic acid)
- 2493-84-7(4-N-Octyloxybenzoic Acid)
- 15872-41-0(4-N-Pentyloxybenzoic Acid)
- 1142-39-8(4-(Hexyloxy)benzoic Acid)
- 2312-15-4(4-(Dodecyloxy)benzoic acid)
- 15872-42-1(4-(Heptyloxy)benzoic Acid)
- 5519-23-3(4-(Decyloxy)benzoic acid)
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