Cas no 281232-92-6 ([1,1'-Biphenyl]-2,4'-dicarboxylicacid, 2-methyl ester)
281232-92-6 structure
Product Name:[1,1'-Biphenyl]-2,4'-dicarboxylicacid, 2-methyl ester
CAS No:281232-92-6
MF:C14H11NO3
MW:241.242043733597
CID:248330
Update Time:2024-01-26
[1,1'-Biphenyl]-2,4'-dicarboxylicacid, 2-methyl ester Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-Biphenyl]-2,4'-dicarboxylicacid, 2-methyl ester
- 4-(2-Carbamoylphenyl)benzoic acid
- 2'-(Methoxycarbonyl)-1,1'-biphenyl-4-carboxylicacid
- 2'-(Methoxycarbonyl)biphenyl-4-carboxylic acid
- Biphenyl-2,4'-dicarboxylicacid 2-methyl ester
- Methyl 2-(4-carboxyphenyl)benzoate
- 2-Methyl [1,1'-biphenyl]-2,4'-dicarboxylate
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- MDL: MFCD06802566
- Inchi: 1S/C14H11NO3/c15-13(16)12-4-2-1-3-11(12)9-5-7-10(8-6-9)14(17)18/h1-8H,(H2,15,16)(H,17,18)
- InChI Key: UKCSLEZAFXRSQQ-UHFFFAOYSA-N
- SMILES: C(O)(=O)C1=CC=C(C2=CC=CC=C2C(=O)N)C=C1
Computed Properties
- Exact Mass: 241.07400
- Monoisotopic Mass: 241.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 321
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: nothing
- Topological Polar Surface Area: 80.4A^2
Experimental Properties
- PSA: 80.39000
- LogP: 2.85100
[1,1'-Biphenyl]-2,4'-dicarboxylicacid, 2-methyl ester Related Literature
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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