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
3.1291 0.4658 0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1151 -0.3657 0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 -0.7626 -0.7168 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1516 -0.3288 -0.3406 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0335 -1.1325 0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2997 -0.7037 0.6888 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7380 0.5582 0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8728 1.3725 -0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6117 0.9363 -0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7390 0.7180 1.1025 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2917 0.8544 -0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9347 -0.7673 1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2368 -1.8754 -0.7318 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5799 -0.3055 -1.6431 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7172 -2.1405 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0020 -1.3389 1.2391 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7519 0.8908 0.6137 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1716 2.3647 -0.6434 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1044 1.5599 -1.2326 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