Cas no 918306-93-1 (6-(2-Hydroxybenzoyl)-4H-1-benzopyran-4-one)
918306-93-1 structure
Product Name:6-(2-Hydroxybenzoyl)-4H-1-benzopyran-4-one
CAS No:918306-93-1
MF:C16H10O4
MW:266.248204708099
CID:778187
Update Time:2023-08-03
6-(2-Hydroxybenzoyl)-4H-1-benzopyran-4-one Chemical and Physical Properties
Names and Identifiers
-
- 4H-1-Benzopyran-4-one, 6-(2-hydroxybenzoyl)-
- 6-(2-hydroxybenzoyl)chromen-4-one
- 6-(2-Hydroxybenzoyl)-4H-1-benzopyran-4-one
-
- Inchi： 1S/C16H10O4/c17-13-4-2-1-3-11(13)16(19)10-5-6-15-12(9-10)14(18)7-8-20-15/h1-9,17H
- InChI Key： QWAQNMGUFRHEPU-UHFFFAOYSA-N
- SMILES： O1C=CC(C2=C1C=CC(C(C1C=CC=CC=1O)=O)=C2)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 428
- XLogP3: 3.3
- Topological Polar Surface Area: 63.6
6-(2-Hydroxybenzoyl)-4H-1-benzopyran-4-one Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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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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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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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