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
3.1564 -0.1941 0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9655 -0.8136 0.6112 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0980 -0.8697 -0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2221 -0.2093 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3205 1.1318 -0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5391 1.7424 -0.3848 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5939 1.0022 0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4984 -0.3442 0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2818 -0.9529 0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4904 0.2663 -0.3832 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8170 -0.1362 1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6261 -1.2758 1.5291 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8506 -1.9295 -0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6183 -0.4283 -1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5372 1.6758 -0.9976 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6327 2.7937 -0.6009 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5676 1.4653 0.2933 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3409 -0.8999 0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1627 -2.0240 0.3767 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