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Chemical Product CAS:300-57-2allylbenzene


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allylbenzene ( CASNO:300-57-2 )

Identification and Related Records
CAS Registry number:
Benzene,2-propenyl- (9CI)
Benzene, allyl- (8CI)
1-Propene, 3-phenyl-
NSC 18609
Molecular Formula:
Molecular Weight:
Canonical SMILES:
Chemical and Physical Properties
clear, colorless liquid
Melting Point:
-40 deg C
Boiling Point:
Refractive Index:
Flash Point:
insoluble in water
Computed Properties:
Molecular Weight:118.1757 [g/mol]
Molecular Formula:C9H10
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:2
Exact Mass:118.07825
MonoIsotopic Mass:118.07825
Topological Polar Surface Area:0
Heavy Atom Count:9
Formal Charge:0
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 Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:7
Safety and Handling
Hazard Codes:
Risk Statements:
Safety Statements:
UN 3295
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