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
3.1917 0.2145 -0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1793 -0.4501 0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1228 0.2790 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2224 0.0860 0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6421 0.9682 -0.6549 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8767 0.8167 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7208 -0.1966 -0.8365 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2778 -1.0573 0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0493 -0.9274 0.7331 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2997 1.2854 -0.2689 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9611 -0.3321 -0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1218 -1.5283 0.1437 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3422 1.3634 0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1525 -0.0323 2.0006 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0150 1.7802 -0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1833 1.5142 -1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7121 -0.3079 -1.3022 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9350 -1.8625 0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7366 -1.6131 1.4955 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