Cas no 157197-55-2 (Benzoic acid, 2-[(diethylamino)carbonyl]-3-methyl-)
![Benzoic acid, 2-[(diethylamino)carbonyl]-3-methyl- structure](https://ossimg.kuujia.com/scimg/157500/157197-55-2x500.png)
157197-55-2 structure
Product Name:Benzoic acid, 2-[(diethylamino)carbonyl]-3-methyl-
CAS No:157197-55-2
MF:C13H17NO3
MW:235.278983831406
CID:1332474
PubChem ID:10243162
Update Time:2025-04-20
Benzoic acid, 2-[(diethylamino)carbonyl]-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-[(diethylamino)carbonyl]-3-methyl-
- 157197-55-2
- DTXSID801243221
- 2-[(Diethylamino)carbonyl]-3-methylbenzoic acid
-
- Inchi： 1S/C13H17NO3/c1-4-14(5-2)12(15)11-9(3)7-6-8-10(11)13(16)17/h6-8H,4-5H2,1-3H3,(H,16,17)
- InChI Key： IFFYXMPSJDDQIL-UHFFFAOYSA-N
- SMILES： O=C(C1C(C(=O)O)=CC=CC=1C)N(CC)CC
Computed Properties
- Exact Mass: 235.12091
- Monoisotopic Mass: 235.12084340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 286
- 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
- Topological Polar Surface Area: 57.6?2
Experimental Properties
- PSA: 57.61
Benzoic acid, 2-[(diethylamino)carbonyl]-3-methyl- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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