Cas no 53319-73-6 (1,3-Isobenzofurandione,hexahydro-4-methyl-, (3aa,4b,7aa)- (9CI))
53319-73-6 structure
Product Name:1,3-Isobenzofurandione,hexahydro-4-methyl-, (3aa,4b,7aa)- (9CI)
1,3-Isobenzofurandione,hexahydro-4-methyl-, (3aa,4b,7aa)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Isobenzofurandione,hexahydro-4-methyl-, (3aa,4b,7aa)- (9CI)
- 4-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
- (+-)-3tF-Methyl-pentan-2rF,3rF-diol
- (+-)-3t-Methyl-cyclohexan-1r,2c-dicarbonsaeure-anhydrid
- (+-)-3t-methyl-cyclohexane-1r,2c-dicarboxylic acid-anhydride
- (+-)-erythro-3-Methyl-pentan-2,3-diol
- (2RS,3SR)-3-Methyl-pentan-2,3-diol
- (2RS,3SR)-3-methyl-pentane-2,3-diol
- 3-methyl-pentane-2,3-diol
- AC1MI4R4
- AG-G-35963
- CTK5B9416
- EINECS 264-294-4
- Hexahydro-3-methylphthalic anhydride
- 3-Methyl-1,2-cyclohexanedicarboxylic acid anhydride
- QXBYUPMEYVDXIQ-UHFFFAOYSA-N
- 4-methylhexahydro-2-benzofuran-1,3-dione
- 4-methyl-octahydro-2-benzofuran-1,3-dione
- 53319-73-6
- NS00020667
- 57110-29-9
- SCHEMBL266400
- 3-Methylhexahydrophthalic anhydride
- DTXSID7029378
- Hexahydro-4-methyl-1,3-isobenzofurandione
- NSC-225257
- NSC225257
-
- Inchi： 1S/C9H12O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h5-7H,2-4H2,1H3
- InChI Key： QXBYUPMEYVDXIQ-UHFFFAOYSA-N
- SMILES： O1C(C2CCCC(C)C2C1=O)=O
Computed Properties
- Exact Mass: 168.07866
- Monoisotopic Mass: 168.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 234
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
- LogP: 1.12220
1,3-Isobenzofurandione,hexahydro-4-methyl-, (3aa,4b,7aa)- (9CI) Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
53319-73-6 (1,3-Isobenzofurandione,hexahydro-4-methyl-, (3aa,4b,7aa)- (9CI)) Related Products
- 39255-32-8(Ethyl 2-methylpentanoate)
- 4415-87-6(1,2,3,4-cyclobutanetetracarboxylic dianhydride)
- 19438-60-9(Hexahydro-4-methylphthalic anhydride)
- 10032-15-2(Hexyl 2-methylbutanoate)
- 10138-59-7(1,2-Cyclohexanedicarboxylic Acid Diethyl Ester)
- 17347-61-4(3,3-dimethyloxolane-2,5-dione)
- 13149-00-3((3aR,7aS)-rel-Hexahydro-1,3-isobenzofurandione)
- 25550-51-0(Methylhexahydroisobenzofuran-1,3-Dione)
- 2094-73-7(1-Adamantylcarboxylic Acid Ethyl Ester)
- 85-42-7(octahydro-2-benzofuran-1,3-dione)
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