- Product Details
Keywords
- 6-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one
- 54312-53-7
- 98%
Quick Details
- ProName: 6-methyl-3-methylidene-4a,5,6,7,8,8a-h...
- CasNo: 54312-53-7
- Molecular Formula: C11H16O2
- Appearance: Solid
- Application: Organic Chemicals
- DeliveryTime: according to client's demand quantity
- PackAge: as requested
- Port: SHANGHAI
- ProductionCapacity: 100 Kilogram/Month
- Purity: 99%
- Storage: room temperature
- Transportation: as requested
- LimitNum: 1 Gram
- Heavy metal: N/A
- Grade: Industrial Grade
Superiority
Details
【Name】
6-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one
【Iupac name】
6-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one
【CAS Registry number】
54312-53-7
【Synonyms】
6-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one
54312-53-7
NSC258628
AC1L7YVO
NSC-258628
【Molecular Formula】
C11H16O2 (Products with the same molecular formula)
【Molecular Weight】
180.2435
【Inchi】
InChI=1/C11H16O2/c1-7-3-4-10-9(5-7)6-8(2)11(12)13-10/h7,9-10H,2-6H2,1H3
【Canonical SMILES】
CC1CCC2C(C1)CC(=C)C(=O)O2
Chemical and Physical Properties
【Density】
1.04g/cm3
【Boiling Point】
310.5°Cat760mmHg
【Refractive Index】
1.491
【Flash Point】
310.5°Cat760mmHg
【Computed Properties】
Molecular Weight:180.24354 [g/mol]
Molecular Formula:C11H16O2
XLogP3-AA:2.7
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:180.11503
MonoIsotopic Mass:180.11503
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Formal Charge:0
Complexity:245
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:1.2
Conformer Sampling RMSD:0.4
CID Conformer Count:21