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
2.2808 -0.5470 -0.7967 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3870 0.4977 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2317 1.0828 0.6866 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0394 0.4098 0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7899 0.8547 -0.6771 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9957 0.2724 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4880 -0.7810 -0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7620 -1.2419 0.8063 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5624 -0.6400 1.1132 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3158 -1.0303 -0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1247 -0.9938 -1.3095 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3659 0.9337 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3784 1.0796 1.7868 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1638 2.1558 0.3803 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4691 1.6806 -1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5814 0.6214 -1.8521 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4347 -1.2690 -0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1182 -2.0704 1.4146 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0075 -1.0150 1.9587 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