Cas no 4195-16-8 (Propanoic acid, 2-methyl-, 4-nitrophenyl ester)
4195-16-8 structure
Product Name:Propanoic acid, 2-methyl-, 4-nitrophenyl ester
CAS No:4195-16-8
MF:C10H11NO4
MW:209.198642969131
CID:324304
PubChem ID:532742
Update Time:2025-04-19
Propanoic acid, 2-methyl-, 4-nitrophenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-methyl-, 4-nitrophenyl ester
- (4-nitrophenyl) 2-methylpropanoate
- CHEMBL3272675
- 4195-16-8
- DTXSID10336367
- 2-Methylpropionic acid, 4-nitrophenyl ester
- SCHEMBL4683792
- p-nitrophenyl isobutyrate
- 4-nitrophenyl isobutyrate
- 4-nitrophenyl 2-methylpropanate
-
- Inchi: 1S/C10H11NO4/c1-7(2)10(12)15-9-5-3-8(4-6-9)11(13)14/h3-7H,1-2H3
- InChI Key: AIKAOGTVMFOQKJ-UHFFFAOYSA-N
- SMILES: O(C1C=CC(=CC=1)[N+](=O)[O-])C(C(C)C)=O
Computed Properties
- Exact Mass: 209.06883
- Monoisotopic Mass: 209.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 238
- 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: 2.5
- Topological Polar Surface Area: 72.1?2
Experimental Properties
- PSA: 69.44
Propanoic acid, 2-methyl-, 4-nitrophenyl ester Related Literature
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
4195-16-8 (Propanoic acid, 2-methyl-, 4-nitrophenyl ester) Related Products
- 1956-06-5(4-Nitrophenyl propionate)
- 830-03-5(4-Nitrophenyl acetate)
- 2635-84-9(4-Nitrophenyl butyrate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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