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
2.9605 0.6149 -0.9872 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1570 0.2327 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2695 -0.9389 -0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1350 -0.4449 0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6548 -0.4417 1.3343 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9399 -0.0023 1.5834 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7083 0.4361 0.5253 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1870 0.4290 -0.7523 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8989 -0.0108 -1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6044 1.4787 -0.8626 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9874 0.0769 -1.9231 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1394 0.7780 0.9271 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5446 -1.6797 0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3579 -1.3298 -1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0545 -0.7823 2.1478 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3873 0.0200 2.5675 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7356 0.7935 0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8129 0.7799 -1.5718 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5064 -0.0094 -2.0139 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