Cas no 119613-13-7 (Butanoic acid,(3-nitrophenyl)methyl ester)
119613-13-7 structure
Product Name:Butanoic acid,(3-nitrophenyl)methyl ester
CAS No:119613-13-7
MF:C11H13NO4
MW:223.225223302841
CID:221084
PubChem ID:147351
Update Time:2025-04-19
Butanoic acid,(3-nitrophenyl)methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,(3-nitrophenyl)methyl ester
- (3-nitrophenyl)methyl butanoate
- 3-Nitrobenzenemethanol propionate
- 3-nitrobenzyl butanoate
- CCRIS 7959
- m-Nitrobenzyl butyrate
- 3-Nitrobenzyl butyrate
- 86R4YZ3GE3
- Butanoic acid, (3-nitrophenyl)methyl ester
- DTXSID30152526
- 119613-13-7
-
- Inchi： 1S/C11H13NO4/c1-2-4-11(13)16-8-9-5-3-6-10(7-9)12(14)15/h3,5-7H,2,4,8H2,1H3
- InChI Key： HEZSMLGZPUJFQL-UHFFFAOYSA-N
- SMILES： O(C(CCC)=O)CC1C=CC=C(C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 223.08449
- Monoisotopic Mass: 223.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 249
- 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: 2.8
- Topological Polar Surface Area: 72.1?2
Experimental Properties
- Density: 1.193
- Boiling Point: 330.6°Cat760mmHg
- Flash Point: 141.2°C
- Refractive Index: 1.532
- PSA: 69.44
Butanoic acid,(3-nitrophenyl)methyl ester Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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