Basic information
- CAS
100348-93-4- Standard SMILES
C[C@@]12CCC(=O)C=C1CCCC2=O- InChIKey
DNHDRUMZDHWHKG-LLVKDONJSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
Names & identifiers
- Preferred name
- (R)-(-)-8a-Methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione
- IUPAC
- (8aR)-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione
- English name
- R(-)-8a-methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
100348-93-4(R)-8a-methyl-3,4,8,8a-tetrahydronaphthalene-1,6(2H,7H)-dione(R)-(-)-8a-Methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione(8aR)-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dioneMFCD000630041,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-methyl-, (8aR)-(8aR)-8A-Methyl-3,4,8,8A-Tetrahydro-1,6(2H,7H)-Naphthalenedione(R)-(-)-3,4,8,8a-Tetrahydro-8a-methyl-1,6(2H,7H)-naphthalenedioneSCHEMBL267262CS-0439588F86956F765212
Show more names
(r)-(-)-9-methyl-e((R)-Wieland-Miescherketone(R)-MIESCHER-WIELAND KETONEWIELAND-MIESCHER KETONE, R-(-)-ISOMERR(-)-9-METHYL-5(10)-OCTALINE-1,6-DIONE(R)-(-)-9-Methyl-delta-(5,10)-octalin-1,6-dioneR(-)-8a-methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedioneR(-)-8a-Methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenendione
(-)-r-6-methylbicyclo[4.4.0]dec-1-ene-3,7-dione(R)-(-)-8a-Methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione, >=98.0% (sum of enantiomers, GC)
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Melting point
- 49 · 49-51 °C
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
- optical activity
- 20 · [α]20/D 98±2°, c = 1.1% in benzene
- BRN
- 2050425 · 2050425
- InChI
- InChI=1S/C11H14O2/c1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h7H,2-6H2,1H3/t11-/m1/s1
- InChIKey
- DNHDRUMZDHWHKG-LLVKDONJSA-N
- SMILES
- C1(=O)[C@@]2(C)C(=CC(=O)CC2)CCC1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- F
- 10 · 10
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
Chemistry & industry
Suppliers16 total
苏州驰瑞智合生物科技有限公司0512-13626191578 13626191578 · [email protected]
成都翔才医药科技有限公司13683497877
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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