Cas no 7699-03-8 (Benzeneaceticacid, 4-hydroxy-a-phenyl-)
7699-03-8 structure
Product Name:Benzeneaceticacid, 4-hydroxy-a-phenyl-
CAS No:7699-03-8
MF:C14H12O3
MW:228.243284225464
CID:580208
PubChem ID:250595
Update Time:2025-04-19
Benzeneaceticacid, 4-hydroxy-a-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneaceticacid, 4-hydroxy-a-phenyl-
- NSC70176; 4-Oxy-diphenylessigsaeure; CTK5E3686; (4-Hydroxy-phenyl)-phenyl-essigsaeure; KST-1A0491; AC1Q5RSL; (4-hydroxy-phenyl)-phenyl-acetic acid; SureCN2942876; (4-hydroxyphenyl)(phenyl)acetic acid; AR-1A5861; Phenyl-< 4-hydroxy-phenyl> -essigsaeure; AC1L5I10;
- (4-hydroxyphenyl)(phenyl)acetic acid
- NSC-70176
- 7699-03-8
- NSC70176
- DTXSID30290654
- SCHEMBL2942876
-
- Inchi： 1S/C14H12O3/c15-12-8-6-11(7-9-12)13(14(16)17)10-4-2-1-3-5-10/h1-9,13,15H,(H,16,17)
- InChI Key： QKVDVFKHAJTZOJ-UHFFFAOYSA-N
- SMILES： OC(C(C1C=CC=CC=1)C1C=CC(=CC=1)O)=O
Computed Properties
- Exact Mass: 228.07866
- Monoisotopic Mass: 228.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 250
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- Density: 1.274
- Boiling Point: 404.2°C at 760 mmHg
- Flash Point: 212.4°C
- Refractive Index: 1.628
- PSA: 57.53
Benzeneaceticacid, 4-hydroxy-a-phenyl- Related Literature
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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