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
2.3008 -0.1248 0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2282 -0.9244 -0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9900 -1.0933 -1.0836 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1321 -0.2752 -0.5658 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3670 1.0101 -1.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4284 1.7308 -0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2725 1.1691 0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0373 -0.1091 0.9119 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9756 -0.8050 0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4576 0.4637 1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2155 -0.0078 1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1037 -1.4756 -0.5889 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6529 -2.1704 -1.0679 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1773 -0.8855 -2.1695 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2692 1.4862 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6336 2.7373 -0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1015 1.7166 0.8894 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6498 -0.6104 1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7975 -1.8321 0.7404 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