Cas no 101241-17-2 (Benzoic acid,2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-[(2E,4E)-1-oxo-2,4-octadien-1-yl]-)
![Benzoic acid,2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-[(2E,4E)-1-oxo-2,4-octadien-1-yl]- structure](https://ossimg.kuujia.com/scimg/101500/101241-17-2x500.png)
101241-17-2 structure
Product Name:Benzoic acid,2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-[(2E,4E)-1-oxo-2,4-octadien-1-yl]-
CAS No:101241-17-2
MF:C17H20O6
MW:320.337105751038
CID:201295
PubChem ID:6442529
Update Time:2025-04-19
Benzoic acid,2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-[(2E,4E)-1-oxo-2,4-octadien-1-yl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-[(2E,4E)-1-oxo-2,4-octadien-1-yl]-
- 2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-[(2E,4E)-octa-2,4-dienoyl]benzoic acid
- 2-Hydroxy-6-(hydroxymethyl)-4-methoxy-3-[(2E,4E)-1-oxo-2,4-octadien-1-yl]benzoic acid
- 101241-17-2
- Benzoic acid, 2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-[(2E,4E)-1-oxo-2,4-octadien-1-yl]-
- CHEBI:218468
- A4QC4S74NA
- Benzoic acid, 2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-((2E,4E)-1-oxo-2,4-octadien-1-yl)-
- Cavoxin
-
- Inchi： 1S/C17H20O6/c1-3-4-5-6-7-8-12(19)15-13(23-2)9-11(10-18)14(16(15)20)17(21)22/h5-9,18,20H,3-4,10H2,1-2H3,(H,21,22)/b6-5+,8-7+
- InChI Key： NLNHSFBYVSNFRF-BSWSSELBSA-N
- SMILES： O(C)C1=CC(CO)=C(C(=O)O)C(=C1C(/C=C/C=C/CCC)=O)O
Computed Properties
- Exact Mass: 320.126
- Monoisotopic Mass: 320.125988
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 8
- Complexity: 456
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 104
- XLogP3: 2.9
Experimental Properties
- Density: 1.251
- Boiling Point: 562.4°Cat760mmHg
- Flash Point: 204.8°C
- Refractive Index: 1.587
- PSA: 104.06
- LogP: 2.68650
Benzoic acid,2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-[(2E,4E)-1-oxo-2,4-octadien-1-yl]- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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