- Product Details
Keywords
- 4-[bis(3,4-dimethoxyphenyl)methyl]-1,2-dimethoxy-benzene
- 5450-52-2
- 98%
Quick Details
- ProName: 4-[bis(3,4-dimethoxyphenyl)methyl]-1,2...
- CasNo: 5450-52-2
- Molecular Formula: C25H28O6
- 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
Superiority
Details
Identification and Related Records
【Name】
1,1',1''-methanetriyltris(3,4-dimethoxybenzene)
【CAS Registry number】
5450-52-2
【Synonyms】
1,1'
,1'
'
-methanetriyltris(3,4-dimethoxybenzene)
5450-52-2
6310-67-4
NSC12040
AC1L5CX4
KST-1B6560
AC1Q5753
AR-1B3785
NSC-12040
4-[bis(3,4-dimethoxyphenyl)methyl]-1,2-dimethoxybenzene
【Molecular Formula】
C25H28O6 (Products with the same molecular formula)
【Molecular Weight】
424.4862
【Inchi】
InChI=1/C25H28O6/c1-26-19-10-7-16(13-22(19)29-4)25(17-8-11-20(27-2)23(14-17)30-5)18-9-12-21(28-3)24(15-18)31-6/h7-15,25H,1-6H3
【Canonical SMILES】
COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC)OC
【MOL File】
5450-52-2.mol
Chemical and Physical Properties
【Density】
1.126g/cm3
【Boiling Point】
533°C at 760 mmHg
【Refractive Index】
1.55
【Flash Point】
210.2°C
【Computed Properties】
Molecular Weight:424.48622 [g/mol]
Molecular Formula:C25H28O6
XLogP3-AA:5.1
H-Bond Donor:0
H-Bond Acceptor:6
Rotatable Bond Count:9
Exact Mass:424.188589
MonoIsotopic Mass:424.188589
Topological Polar Surface Area:55.4
Heavy Atom Count:31
Formal Charge:0
Complexity:445
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:6
Feature 3D Ring Count:3
Effective Rotor Count:9
Conformer Sampling RMSD:1
CID Conformer Count:32