Cas no 149862-76-0 (2-[(2,5-dimethylphenoxy)methyl]benzoic acid)
![2-[(2,5-dimethylphenoxy)methyl]benzoic acid structure](https://ossimg.kuujia.com/scimg/150000/149862-76-0x500.png)
149862-76-0 structure
Product Name:2-[(2,5-dimethylphenoxy)methyl]benzoic acid
CAS No:149862-76-0
MF:C16H16O3
MW:256.296444892883
CID:1321594
PubChem ID:11107957
Update Time:2025-04-20
2-[(2,5-dimethylphenoxy)methyl]benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-[(2,5-dimethylphenoxy)methyl]benzoic acid
- benzoic acid, 2-[(2,5-dimethylphenoxy)methyl]-
- LogP
- 149862-76-0
- DTXSID301262470
- SCHEMBL7540548
- 2-(2,5-dimethylphenoxymethyl)benzoic acid
- ONFJUNGEOKEOAN-UHFFFAOYSA-N
-
- Inchi： 1S/C16H16O3/c1-11-7-8-12(2)15(9-11)19-10-13-5-3-4-6-14(13)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)
- InChI Key： ONFJUNGEOKEOAN-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1C(=O)O)C1C=C(C)C=CC=1C
Computed Properties
- Exact Mass: 256.10998
- Monoisotopic Mass: 256.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 302
- 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: 3.6
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
2-[(2,5-dimethylphenoxy)methyl]benzoic acid Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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
149862-76-0 (2-[(2,5-dimethylphenoxy)methyl]benzoic acid) Related Products
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