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
-2.5059 1.4334 -1.4146 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0782 0.3603 -0.7895 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8417 -0.3033 -1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2071 -0.3438 -0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1180 0.6867 -0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0950 0.6647 0.8999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1778 -0.3948 1.7811 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2638 -1.4217 1.6599 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2775 -1.4099 0.6835 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4090 1.9775 -1.1336 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9719 1.8391 -2.2572 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6127 -0.0422 0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0196 -1.3698 -1.5394 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4378 0.1870 -2.1559 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0899 1.5526 -0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7921 1.4907 0.9601 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9541 -0.4206 2.5622 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3278 -2.2489 2.3472 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4263 -2.2371 0.6177 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