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
3.0861 -0.1245 0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9905 -0.8188 0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2902 -0.5934 -0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1180 -0.1369 -0.3991 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4303 1.2028 -0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7276 1.6531 -0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7676 0.7514 -0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4588 -0.5871 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1584 -1.0378 -0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6355 -0.2636 1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4977 0.6144 0.2854 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6364 -1.5421 1.4004 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2258 -1.5395 -1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8104 0.1379 -1.2429 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4077 1.9026 -0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9557 2.7162 -0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7986 1.0553 0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2561 -1.3014 -0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9091 -2.0884 -0.3773 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