Cas no 180678-33-5 (Benzoic acid, 3,4-bis(hexadecyloxy)-)
180678-33-5 structure
Product Name:Benzoic acid, 3,4-bis(hexadecyloxy)-
CAS No:180678-33-5
MF:C39H70O4
MW:602.97071313858
CID:1371704
PubChem ID:71353329
Update Time:2025-04-20
Benzoic acid, 3,4-bis(hexadecyloxy)- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3,4-bis(hexadecyloxy)-
- 3,4-dihexadecoxybenzoic acid
- 180678-33-5
- DTXSID40778079
- 3,4-BIS(HEXADECYLOXY)BENZOIC ACID
-
- Inchi： 1S/C39H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-42-37-32-31-36(39(40)41)35-38(37)43-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,35H,3-30,33-34H2,1-2H3,(H,40,41)
- InChI Key： JJPWTPVITMPTJH-UHFFFAOYSA-N
- SMILES： O(C1C=C(C(=O)O)C=CC=1OCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 602.5277
- Monoisotopic Mass: 602.52741071g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 43
- Rotatable Bond Count: 33
- Complexity: 580
- 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: 17.1
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
Benzoic acid, 3,4-bis(hexadecyloxy)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
180678-33-5 (Benzoic acid, 3,4-bis(hexadecyloxy)-) Related Products
- 15872-43-2(4-(N-Nonyloxy)Benzoic Acid)
- 15872-44-3(4-Undecyloxybenzoic Acid)
- 15872-48-7(p-Hexadecyloxybenzoic 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)
- 140918-53-2(4-((8-Hydroxyoctyl)oxy)benzoic acid)
- 143294-86-4(1,3-Benzenedicarboxylicacid, 5-(octadecyloxy)-)
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