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
2.1745 -0.5816 0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3754 -0.0479 -0.3756 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2478 0.4687 -1.2374 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0440 0.2638 -0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5688 1.2298 0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7675 1.0397 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4527 -0.1370 0.7719 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9605 -1.1188 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7645 -0.8968 -0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0091 -0.9353 1.3769 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1876 -0.6827 1.2207 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3848 0.0358 -0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2403 -0.1285 -2.1514 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3866 1.5614 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0173 2.1652 0.4637 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1738 1.7965 1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4110 -0.3056 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4948 -2.0608 -0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3511 -1.6659 -1.3671 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