Cas no 193151-96-1 (Benzoic acid,4-(2,3-dihydro-1,4-benzodioxin-6-yl)-)
193151-96-1 structure
Product Name:Benzoic acid,4-(2,3-dihydro-1,4-benzodioxin-6-yl)-
CAS No:193151-96-1
MF:C15H12O4
MW:256.253384590149
CID:116321
PubChem ID:20099962
Update Time:2025-04-18
Benzoic acid,4-(2,3-dihydro-1,4-benzodioxin-6-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-(2,3-dihydro-1,4-benzodioxin-6-yl)-
- 4-(2,3-dihydro-1,4-benzodioxin-6-yl)benzoic acid
- 4-(2,3-DIHYDROBENZO[1,4]DIOXIN-6-YL)BENZOIC ACID
- 4-(2-Oxo-2,3-dihydrobenzothiazol-6-yl)benzoic acid
- 4-(3-Oxo-3,4-dihydro-2H-benzothiazin-7-yl)benzoic acid
- 4-(4-Oxo-chromen-6-yl)benzoic acid
- 4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)benzoic acid
- DTXSID00602467
- 193151-96-1
- SCHEMBL14886674
- BB 0223412
- AKOS004115032
-
- Inchi： 1S/C15H12O4/c16-15(17)11-3-1-10(2-4-11)12-5-6-13-14(9-12)19-8-7-18-13/h1-6,9H,7-8H2,(H,16,17)
- InChI Key： WHINZSFQRUFDIG-UHFFFAOYSA-N
- SMILES： O1CCOC2C=CC(C3C=CC(C(=O)O)=CC=3)=CC1=2
Computed Properties
- Exact Mass: 256.07356
- Monoisotopic Mass: 256.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 322
- 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: 2.8
- Topological Polar Surface Area: 55.8A^2
Experimental Properties
- PSA: 55.76
Benzoic acid,4-(2,3-dihydro-1,4-benzodioxin-6-yl)- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
193151-96-1 (Benzoic acid,4-(2,3-dihydro-1,4-benzodioxin-6-yl)-) Related Products
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