Cas no 61927-07-9 (2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-6-hydroxy-4,4,7a-trimethyl-)
61927-07-9 structure
Product Name:2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-6-hydroxy-4,4,7a-trimethyl-
CAS No:61927-07-9
MF:C11H16O3
MW:196.242943763733
CID:462954
PubChem ID:14334
Update Time:2025-04-19
2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-6-hydroxy-4,4,7a-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-6-hydroxy-4,4,7a-trimethyl-
- 6-Hydroxy-4,4,7a-trimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one
- MEGxp0_000165
- ACon1_001265
- BRD-A40376972-001-01-5
- XEVQXKKKAVVSMW-UHFFFAOYSA-N
- NCGC00169518-01
- AKOS027321437
- 61927-07-9
- Compound NP-018553
- 1133-03-5
- 6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzouran-2-one
- 6-Hydroxy-4,4,7a-trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
- 2,4-Dihydroxy-2,6,6-trimethylcyclohexylideneacetic acid .gamma.-lactone
- NSC289632
- 6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
- 5,6,7,7a-tetrahydro-6-hydroxy-4,4,7a-trimethyl-2(4h)-benzofuranone
- SCHEMBL12939655
- DTXSID10921035
- CHEBI:181628
- .DELTA.1,.alpha.-Cyclohexaneacetic acid, 2,4-dihydroxy-2,6,6-trimethyl-, .gamma.-lactone
-
- Inchi： 1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3
- InChI Key： XEVQXKKKAVVSMW-UHFFFAOYSA-N
- SMILES： O1C(C=C2C1(C)CC(CC2(C)C)O)=O
Computed Properties
- Exact Mass: 196.10998
- Monoisotopic Mass: 196.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 317
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-6-hydroxy-4,4,7a-trimethyl- Related Literature
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
61927-07-9 (2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-6-hydroxy-4,4,7a-trimethyl-) Related Products
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- 124961-67-7([(4aR,5S,7R,8S,8aR)-5-hydroxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl (E)-2-methylbut-2-enoate)
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