Diisoeugenol 522-09-8 CAS NO.522-09-8

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Product Details

Keywords

Diisoeugenol
522-09-8
98%

Quick Details

ProName: Diisoeugenol 522-09-8
CasNo: 522-09-8
Molecular Formula: C20H24O4
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: as 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

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Details

Identification and Related Records
【Name】
diisoeugenol
【CAS Registry number】
522-09-8
【Synonyms】
1H-Inden-5-ol, 1-ethyl-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2-methyl-
【Molecular Formula】
C20H24O4 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C20H24O4/c1-5-13-11(2)20(12-6-7-16(21)18(8-12)23-3)15-9-17(22)19(24-4)10-14(13)15/h6-11,13,20-22H,5H2,1-4H3
【Canonical SMILES】
CCC1C(C(C2=CC(=C(C=C12)OC)O)C3=CC(=C(C=C3)O)OC)C
【MOL File】
522-09-8.mol
Chemical and Physical Properties
【Density】
1.151g/cm3
【Melting Point】
179-180℃
【Boiling Point】
476.6°C at 760 mmHg
【Refractive Index】
1.573
【Flash Point】
242°C
【Computed Properties】
Molecular Weight:328.40216 [g/mol]
Molecular Formula:C20H24O4
XLogP3-AA:4.6
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:4
Tautomer Count:555
Exact Mass:328.167459
MonoIsotopic Mass:328.167459
Topological Polar Surface Area:58.9
Heavy Atom Count:24
Formal Charge:0
Complexity:414
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:2
Feature 3D Donor Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:3
Effective Rotor Count:4.6
Conformer Sampling RMSD:0.8
CID Conformer Count:47

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