Cas no 6268-08-2 ( )
structure
Product Name:
CAS No:6268-08-2
MF:C15H12O4
MW:256.253384590149
CID:957196
PubChem ID:235577
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- AC1Q5TW8; Diphenylmethan-dicarbonsaeure-(2.4'); 2,4'-methanediyl-di-benzoic acid; NSC37133; AC1L5UOW; NCIStruc2_000418; SureCN69041; 2,4'-Methandiyl-di-benzoesaeure; 2-(4-carboxybenzyl)benzoic acid; NCIStruc1_000416;
- NSC-37133
- NCGC00013432
- 2-[(4-carboxyphenyl)methyl]benzoic acid
- NCI60_003421
- NCI37133
- NCGC00096547-01
- CHEMBL1491699
- NCIStruc2_000418
- 6268-08-2
- NCIStruc1_000416
- NCGC00013432-02
- SCHEMBL69041
- CCG-38158
- DTXSID00284404
- NSC37133
-
-
- Inchi： 1S/C15H12O4/c16-14(17)11-7-5-10(6-8-11)9-12-3-1-2-4-13(12)15(18)19/h1-8H,9H2,(H,16,17)(H,18,19)
- InChI Key： SXJJRDVGHKSPCS-UHFFFAOYSA-N
- SMILES： OC(C1C=CC=CC=1CC1C=CC(C(=O)O)=CC=1)=O
Computed Properties
- Exact Mass: 256.07356
- Monoisotopic Mass: 256.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 331
- 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: 1.8
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- Density: 1.321
- Boiling Point: 475.4°C at 760 mmHg
- Flash Point: 255.4°C
- Refractive Index: 1.635
- PSA: 74.6
Related Literature
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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