Cas no 630128-58-4 (Benzoic acid, 3-hydroxy-4-methoxy-, dodecyl ester)
630128-58-4 structure
Product Name:Benzoic acid, 3-hydroxy-4-methoxy-, dodecyl ester
CAS No:630128-58-4
MF:C20H32O4
MW:336.465686798096
CID:427588
PubChem ID:71381518
Update Time:2025-04-19
Benzoic acid, 3-hydroxy-4-methoxy-, dodecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-hydroxy-4-methoxy-, dodecyl ester
- dodecyl 3-hydroxy-4-methoxybenzoate
- DTXSID70803964
- 630128-58-4
-
- Inchi： 1S/C20H32O4/c1-3-4-5-6-7-8-9-10-11-12-15-24-20(22)17-13-14-19(23-2)18(21)16-17/h13-14,16,21H,3-12,15H2,1-2H3
- InChI Key： FEZXWYGJAGTBBC-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=C(C=1)O)OC)=O)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 336.23016
- Monoisotopic Mass: 336.23005950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 14
- Complexity: 319
- 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: 7
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
Benzoic acid, 3-hydroxy-4-methoxy-, dodecyl ester Related Literature
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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