Cas no 893736-84-0 ([1,1'-Biphenyl]-2,3'-dicarboxylicacid, 2-methyl ester)
893736-84-0 structure
Product Name:[1,1'-Biphenyl]-2,3'-dicarboxylicacid, 2-methyl ester
CAS No:893736-84-0
MF:C13H11NO4S
MW:277.295742273331
CID:714667
Update Time:2024-01-31
[1,1'-Biphenyl]-2,3'-dicarboxylicacid, 2-methyl ester Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-Biphenyl]-2,3'-dicarboxylicacid, 2-methyl ester
- 2'-(methoxycarbonyl)-[1,1'-biphenyl]-3-carboxylic acid
- 3-(2-Aminosulfonylphenyl)benzoic acid
- 3-(2-sulfamoylphenyl)benzoic acid
- 2'-Sulfamoylbiphenyl-3-carboxylic acid
- Methyl 2-(3-carboxyphenyl)benzoate
- 3-(2-Carbamoylphenyl)benzoic acid
- 3-(3-Aminosulfonylphenyl)benozoic acid
- 3-(4-Aminosulfonylphenyl)benzoic acid
- 3-(4-Sulfophenyl)benzoic acid
-
- Inchi: 1S/C13H11NO4S/c14-19(17,18)12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-8H,(H,15,16)(H2,14,17,18)
- InChI Key: GHTXHTSFJAZACO-UHFFFAOYSA-N
- SMILES: C(O)(=O)C1=CC=CC(C2=CC=CC=C2S(N)(=O)=O)=C1
Computed Properties
- Exact Mass: 277.04100
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 428
- 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: nothing
- XLogP3: 1.6
Experimental Properties
- PSA: 105.84000
- LogP: 3.48030
[1,1'-Biphenyl]-2,3'-dicarboxylicacid, 2-methyl ester Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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