Cas no 403825-99-0 (4-((2-cyanophenoxy)methyl)benzoic acid)
403825-99-0 structure
Product Name:4-((2-cyanophenoxy)methyl)benzoic acid
CAS No:403825-99-0
MF:C15H11NO3
MW:253.252743959427
CID:2142539
PubChem ID:2981989
Update Time:2025-04-21
4-((2-cyanophenoxy)methyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 4-((2-cyanophenoxy)methyl)benzoic acid
- SR-01000299896-1
- SR-01000299896
- AKOS000156884
- DQPKEZXWFVJUKN-UHFFFAOYSA-N
- SCHEMBL1749528
- 403825-99-0
- DB-315628
-
- Inchi: 1S/C15H11NO3/c16-9-13-3-1-2-4-14(13)19-10-11-5-7-12(8-6-11)15(17)18/h1-8H,10H2,(H,17,18)
- InChI Key: DQPKEZXWFVJUKN-UHFFFAOYSA-N
- SMILES: O(C1C=CC=CC=1C#N)CC1C=CC(C(=O)O)=CC=1
Computed Properties
- Exact Mass: 253.07389321Da
- Monoisotopic Mass: 253.07389321Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 352
- 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: 2.6
- Topological Polar Surface Area: 70.3?2
4-((2-cyanophenoxy)methyl)benzoic acid Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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