1-Ethenyl-3-methylbenzene


Chemical Name: 1-Ethenyl-3-methylbenzene
CAS Number: 100-80-1
Product Number: AG00007Z(AGN-PC-0JK84F)
Synonyms:
MDL No:
Molecular Formula: C9H10
Molecular Weight: 118.1757

Identification/Properties


Properties
MP:
-82--81 °C
BP:
170°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
118.179g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
1
Exact Mass:
118.078g/mol
Monoisotopic Mass:
118.078g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
94.2
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
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
1993
Hazard Statements:
H226-H304-H315-H319-H332-H335
Precautionary Statements:
P261-P301+P310-P305+P351+P338-P331
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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