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
2.9684 -0.8540 -0.8728 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6806 -0.9045 -1.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8575 0.3382 -1.2579 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2243 0.3292 -0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0535 0.8702 1.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0668 0.8540 1.9575 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2849 0.2921 1.6484 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4509 -0.2451 0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4439 -0.2351 -0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5365 -1.7525 -0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4392 0.1032 -0.7478 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2374 -1.8959 -1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4218 0.3362 -2.2705 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4714 1.2375 -1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8956 1.3215 1.3002 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8914 1.2869 2.9309 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1053 0.2702 2.3812 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4070 -0.6920 0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5803 -0.6603 -1.5440 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