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
2.2838 0.0818 0.8252 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3850 -0.3397 -0.4295 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2233 -0.5013 -1.3265 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0577 -0.1480 -0.6892 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5787 1.1281 -0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7863 1.4218 -0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5122 0.4482 0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9927 -0.8296 0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7946 -1.1061 -0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3513 0.3418 1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1738 0.1801 1.4344 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3603 -0.5830 -0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2119 -1.5556 -1.6723 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3903 0.1116 -2.2581 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0390 1.9361 -1.2467 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1958 2.4415 -0.1504 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4660 0.6826 1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5524 -1.5962 1.1123 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4042 -2.1141 0.0241 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