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
3.1654 -0.5405 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1788 0.3435 0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2534 0.5975 -0.7031 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1547 0.2824 -0.3426 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6452 -0.9862 -0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9574 -1.3253 -0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8120 -0.3868 0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3355 0.8859 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0180 1.2127 0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8156 -0.7118 1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3008 -1.0663 -0.5703 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9885 0.9102 1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5924 -0.0114 -1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3778 1.6706 -0.9455 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0333 -1.7369 -0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3316 -2.3375 -0.3914 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8231 -0.6523 0.5643 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9967 1.6341 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6318 2.2183 0.3601 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