Cas no 120464-79-1 ((4-formylphenyl) 2-methylpropanoate)
120464-79-1 structure
Product Name:(4-formylphenyl) 2-methylpropanoate
CAS No:120464-79-1
MF:C11H12O3
MW:192.211183547974
CID:1209705
PubChem ID:17883908
Update Time:2025-04-20
(4-formylphenyl) 2-methylpropanoate Chemical and Physical Properties
Names and Identifiers
-
- (4-formylphenyl) 2-methylpropanoate
- 4-FORMYLPHENYL 2-METHYLPROPANOATE
- 120464-79-1
- DTXSID60591464
- AKOS006242942
- SCHEMBL1665627
- 4-Formylphenyl2-methylpropanoate
-
- MDL： MFCD09754292
- Inchi： 1S/C11H12O3/c1-8(2)11(13)14-10-5-3-9(7-12)4-6-10/h3-8H,1-2H3
- InChI Key： OMUMEEXBNHJTLD-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C=O)=CC=1)C(C(C)C)=O
Computed Properties
- Exact Mass: 192.078644241g/mol
- Monoisotopic Mass: 192.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 203
- 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: 2.2
- Topological Polar Surface Area: 43.4?2
(4-formylphenyl) 2-methylpropanoate Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
120464-79-1 ((4-formylphenyl) 2-methylpropanoate) Related Products
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