Cas no 18465-95-7 (Nsc202580)
Nsc202580 structure
Product Name:Nsc202580
CAS No:18465-95-7
MF:C14H18O3
MW:234.290924549103
CID:907198
PubChem ID:305563
Update Time:2025-04-19
Nsc202580 Chemical and Physical Properties
Names and Identifiers
-
- Nsc202580
- (1R)-7anti-isopropyl-5-methyl-bicyclo[2.2.2]oct-5-ene-2endo,3endo-dicarboxylic acid-anhydride
- (1R)-7anti-Isopropyl-5-methyl-bicyclo[2.2.2]oct-5-en-2endo,3endo-dicarbonsaeure-anhydrid
- AC1L773T
- AKOS040765349
- AKOS000281447
- CHEMBL1979428
- DTXSID70308161
- NSC-202580
- SCHEMBL15802685
- 18465-95-7
-
- Inchi： 1S/C14H18O3/c1-6(2)8-5-9-7(3)4-10(8)12-11(9)13(15)17-14(12)16/h4,6,8-12H,5H2,1-3H3
- InChI Key： IHLZMAMVGXEIGC-UHFFFAOYSA-N
- SMILES： O1C(C2C(C1=O)C1C=C(C)C2CC1C(C)C)=O
Computed Properties
- Exact Mass: 234.12564
- Monoisotopic Mass: 234.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 421
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
- LogP: 2.17040
Nsc202580 Related Literature
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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