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
1.9929 1.0594 0.5542 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3218 0.2771 -0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3004 -0.5802 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0043 -0.3924 -0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8583 0.5760 -0.8866 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0850 0.7545 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4428 -0.0273 0.8197 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5489 -0.9875 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3420 -1.1862 0.6341 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7128 1.6966 1.0436 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9793 1.0969 0.9558 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3512 0.2979 -0.8133 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6454 -1.6365 -1.0696 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1756 -0.2701 -2.1701 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5929 1.2073 -1.7345 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7574 1.5226 -0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3952 0.1307 1.2934 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8381 -1.5990 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3857 -1.9398 0.9432 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