Monomers
Allylbenzene
Identifiers
IUPAC name
prop-2-enylbenzene
InchI
InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
InchI Key
HJWLCRVIBGQPNF-UHFFFAOYSA-N
SMILES
C=CCc1ccccc1
Canonical SMILES
C=CCC1=CC=CC=C1
Isomeric SMILES
C=CCC1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H10
Heavy Atom Count
9
Molecular Weight
118.179
Exact Molecular Weight
118.0783
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.4151
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
19 19 0 0 0 0 0 0 0 0999 V2000
-2.1728 0.5122 0.9517 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3100 -0.6511 0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1807 -1.2836 -0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0411 -0.4712 -0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9409 -0.6652 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0909 0.0699 0.7957 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3929 1.0204 -0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5124 1.2271 -1.1826 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3504 0.4884 -1.2735 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9851 0.9717 1.4773 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2200 1.0133 0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2718 -1.1475 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9520 -2.2663 0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4965 -1.5314 -1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7486 -1.4134 1.4894 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7719 -0.1037 1.6177 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3182 1.5800 -0.0337 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7619 1.9817 -1.9186 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3404 0.6686 -2.1125 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 4 1 0
1 10 1 0
1 11 1 0
2 12 1 0
3 13 1 0
3 14 1 0
5 15 1 0
6 16 1 0
7 17 1 0
8 18 1 0
9 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers