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
-3.1162 -0.6169 -0.7263 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0814 0.1598 -0.9341 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3238 0.6564 0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0868 0.2552 0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5774 -0.8853 0.8163 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9382 -1.1708 0.7698 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8349 -0.3129 0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3458 0.8282 -0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9955 1.0951 -0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4015 -0.8825 0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6944 -0.9996 -1.5439 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8230 0.4073 -1.9628 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4267 1.7814 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7902 0.3118 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1021 -1.5450 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3643 -2.0584 1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8919 -0.5515 0.1149 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0555 1.4995 -0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6690 2.0280 -0.8631 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