Cas no 131384-94-6 (null)
null structure
Product Name:null
CAS No:131384-94-6
MF:C9H6O2
MW:146.14274263382
CID:898605
PubChem ID:14833021
Update Time:2025-04-19
null Chemical and Physical Properties
Names and Identifiers
-
- null
- bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxylic acid
- Bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxylic acid (9CI)
-
- Inchi： 1S/C9H6O2/c10-9(11)8-5-6-3-1-2-4-7(6)8/h1-5H,(H,10,11)
- InChI Key： AASGLWBTIQEPOB-UHFFFAOYSA-N
- SMILES： OC(C1=CC2C=CC=CC=21)=O
Computed Properties
- Exact Mass: 146.03678
- Monoisotopic Mass: 146.036779430g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 218
- 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: 1.2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
null Related Literature
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
131384-94-6 (null) Related Products
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