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
2.1933 0.0809 0.7778 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3080 -0.6565 -0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0737 -0.9485 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1129 -0.3170 -0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4840 0.9609 -0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5816 1.6109 -0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3238 0.9292 0.6681 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9655 -0.3527 1.0298 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8686 -0.9853 0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0703 0.3088 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2472 0.4812 1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2686 -1.0225 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2084 -0.5943 -2.1561 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9630 -2.0629 -1.1561 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1294 1.4713 -1.5774 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8493 2.6204 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1862 1.3927 1.1261 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5252 -0.9274 1.7705 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5648 -1.9892 0.7336 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