2,5-Furandione,3-(2,5-dimethyl-1,5-hexadien-1-yl)dihydro- 5410-96-8 CAS NO.5410-96-8

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Product Details

Keywords

2,5-Furandione,3-(2,5-dimethyl-1,5-hexadien-1-yl)dihydro-
5410-96-8
98%

Quick Details

ProName: 2,5-Furandione,3-(2,5-dimethyl-1,5-hex...
CasNo: 5410-96-8
Molecular Formula: C12H16 O3
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 Kilogram
Heavy metal: N/A
Grade: Industrial Grade

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Details

【Name】
2,5-Furandione,3-(2,5-dimethyl-1,5-hexadien-1-yl)dihydro-
【Iupac name】
3-[(1Z)-2,5-dimethylhexa-1,5-dienyl]oxolane-2,5-dione
【CAS Registry number】
5410-96-8
【Synonyms】
2,5-Furandione,3-(2,5-dimethyl-1,5-hexadienyl)dihydro- (9CI)
NSC4805
【Molecular Formula】
C12H16 O3 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C12H16O3/c1-8(2)4-5-9(3)6-10-7-11(13)15-12(10)14/h6,10H,1,4-5,7H2,2-3H3/b9-6-
【Canonical SMILES】
CC(=C)CCC(=CC1CC(=O)OC1=O)C
【Isomers smiles】
CC(=C)CC/C(=C\C1CC(=O)OC1=O)/C
【MOL File】
5410-96-8.mol
Chemical and Physical Properties
【Density】
1.12g/cm3
【Boiling Point】
328.3°Cat760mmHg
【Refractive Index】
1.543
【Flash Point】
148°C
【Computed Properties】
Molecular Weight:208.25364 [g/mol]
Molecular Formula:C12H16O3
XLogP3-AA:2.9
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:4
Tautomer Count:4
Exact Mass:208.109944
MonoIsotopic Mass:208.109944
Topological Polar Surface Area:43.4
Heavy Atom Count:15
Formal Charge:0
Complexity:326
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:1
Effective Rotor Count:4.6
Conformer Sampling RMSD:0.6
CID Conformer Count:90

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