Cas no 185522-04-7 (3-(Oxiran-2-ylmethoxy)benzoic acid)
185522-04-7 structure
Product Name:3-(Oxiran-2-ylmethoxy)benzoic acid
CAS No:185522-04-7
MF:C10H10O4
MW:194.184003353119
CID:1039739
PubChem ID:19702031
Update Time:2025-04-20
3-(Oxiran-2-ylmethoxy)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-(Oxiran-2-ylmethoxy)benzoic acid
- 3-Oxiranylmethoxy-benzoic acid
- AG-A-62145
- AK-79602
- ANW-68446
- CTK7I8740
- KB-233673
- MolPort-000-005-162
- RARECHEM AL BE 1055
- 3-[(Oxiran-2-yl)methoxy]benzoic acid
- AKOS006292736
- MFCD06203419
- SCHEMBL8208400
- DTXSID90599317
- 185522-04-7
-
- Inchi： 1S/C10H10O4/c11-10(12)7-2-1-3-8(4-7)13-5-9-6-14-9/h1-4,9H,5-6H2,(H,11,12)
- InChI Key： XYAVQXSVVRVAKJ-UHFFFAOYSA-N
- SMILES： O1CC1COC1C=CC=C(C(=O)O)C=1
Computed Properties
- Exact Mass: 194.05790880g/mol
- Monoisotopic Mass: 194.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 216
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 59.1?2
Experimental Properties
- Density: 1.327±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Slightly soluble (2.1 g/l) (25 o C),
3-(Oxiran-2-ylmethoxy)benzoic acid Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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