Cas no 76261-17-1 (Benzoic acid, 2-hydroxy-6-(12-phenyldodecyl)-)
76261-17-1 structure
Product Name:Benzoic acid, 2-hydroxy-6-(12-phenyldodecyl)-
CAS No:76261-17-1
MF:C25H34O3
MW:382.535667896271
CID:538103
PubChem ID:14655079
Update Time:2025-04-19
Benzoic acid, 2-hydroxy-6-(12-phenyldodecyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-hydroxy-6-(12-phenyldodecyl)-
- 2-hydroxy-6-(12-phenyldodecyl)benzoic acid
- 76261-17-1
- CHEMBL479327
- DTXSID80562656
-
- Inchi： 1S/C25H34O3/c26-23-20-14-19-22(24(23)25(27)28)18-13-8-6-4-2-1-3-5-7-10-15-21-16-11-9-12-17-21/h9,11-12,14,16-17,19-20,26H,1-8,10,13,15,18H2,(H,27,28)
- InChI Key： IYAGAWGPLSSYQI-UHFFFAOYSA-N
- SMILES： OC1=CC=CC(=C1C(=O)O)CCCCCCCCCCCCC1C=CC=CC=1
Computed Properties
- Exact Mass: 382.25079494g/mol
- Monoisotopic Mass: 382.25079494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 28
- Rotatable Bond Count: 14
- Complexity: 403
- 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: 9.3
- Topological Polar Surface Area: 57.5?2
Benzoic acid, 2-hydroxy-6-(12-phenyldodecyl)- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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