Cas no 17429-25-3 (5H-Inden-5-one,1,2,3,3a,4,7a-hexahydro-7a-methyl-, (3aR,7aS)-rel-)
17429-25-3 structure
Product Name:5H-Inden-5-one,1,2,3,3a,4,7a-hexahydro-7a-methyl-, (3aR,7aS)-rel-
CAS No:17429-25-3
MF:C10H14O
MW:150.217563152313
CID:122339
PubChem ID:12860553
Update Time:2025-04-18
5H-Inden-5-one,1,2,3,3a,4,7a-hexahydro-7a-methyl-, (3aR,7aS)-rel- Chemical and Physical Properties
Names and Identifiers
-
- 5H-Inden-5-one,1,2,3,3a,4,7a-hexahydro-7a-methyl-, (3aR,7aS)-rel-
- 5H-Inden-5-one, 1,2,3,3a,4,7a-hexahydro-7a-methyl-, trans-
- trans-Homoaconitic acid
- trans-Homoaconitinsaeure
- trans-Homoaconitsaeure
- trans-hydrindanone
- trans-hydrindenone
- 17429-25-3
- (3aR,7aS)-7a-methyl-2,3,3a,4-tetrahydro-1H-inden-5-one
-
- Inchi： 1S/C10H14O/c1-10-5-2-3-8(10)7-9(11)4-6-10/h4,6,8H,2-3,5,7H2,1H3/t8-,10-/m1/s1
- InChI Key： VTVAOEWVSQITMX-PSASIEDQSA-N
- SMILES： O=C1C=C[C@@]2(C)CCC[C@@H]2C1
Computed Properties
- Exact Mass: 150.10400
- Monoisotopic Mass: 150.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 217
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07000
- LogP: 2.32180
5H-Inden-5-one,1,2,3,3a,4,7a-hexahydro-7a-methyl-, (3aR,7aS)-rel- Customs Data
- HS CODE：2914190090
- Customs Data：
China Customs Code:
2914190090Overview:
2914190090 Other acyclic ketones without other oxygen-containing groups.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acetone declared packaging
Summary:
2914190090 other acyclic ketones without other oxygen function.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%
5H-Inden-5-one,1,2,3,3a,4,7a-hexahydro-7a-methyl-, (3aR,7aS)-rel- Related Literature
-
1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
-
2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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