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
3.0845 0.1232 0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2068 0.4037 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3029 -0.6383 -0.5548 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1201 -0.2829 -0.3412 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8469 0.4403 -1.2713 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1721 0.7595 -1.0501 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8245 0.3723 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0944 -0.3475 1.0245 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7717 -0.6689 0.8089 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1641 -0.8759 1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7531 0.8756 1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1390 1.4012 -0.4155 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4307 -0.7665 -1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4817 -1.5816 -0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3226 0.7448 -2.1852 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7296 1.3223 -1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8676 0.6310 0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5763 -0.6739 1.9537 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2373 -1.2382 1.5648 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