- Product Details
Keywords
- 1-Pentene, 4,4-dinitro-
- 5432-39-3
- C5H8 N2 O4
Quick Details
- ProName: 1-Pentene, 4,4-dinitro- 5432-39-3
- CasNo: 5432-39-3
- Molecular Formula: C5H8 N2 O4
- 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】
1-Pentene, 4,4-dinitro-
【CAS Registry number】
5432-39-3
【Synonyms】
4,4-Dinitro-1-pentene
NSC 16176
【Molecular Formula】
C5H8 N2 O4 (Products with the same molecular formula)
【Molecular Weight】
160.128
【Inchi】
InChI=1/C5H8N2O4/c1-3-4-5(2,6(8)9)7(10)11/h3H,1,4H2,2H3
【Canonical SMILES】
CC(CC=C)([N+](=O)[O-])[N+](=O)[O-]
Chemical and Physical Properties
【Density】
1.215g/cm3
【Boiling Point】
202.2°Cat760mmHg
【Refractive Index】
1.472
【Flash Point】
75.3°C
【Computed Properties】
Molecular Weight:160.12802 [g/mol]
Molecular Formula:C5H8N2O4
XLogP3-AA:1.4
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:2
Exact Mass:160.048407
MonoIsotopic Mass:160.048407
Topological Polar Surface Area:91.6
Heavy Atom Count:11
Formal Charge:0
Complexity:176
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:4
Feature 3D Anion Count:2
Feature 3D Hydrophobe Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:24