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
-2.1594 0.6626 -0.8218 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4189 -0.1447 0.1937 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3057 -0.7314 0.9537 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0205 -0.3071 0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6905 0.8060 0.9071 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9352 1.1405 0.3709 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5125 0.3760 -0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8285 -0.7340 -1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5956 -1.0714 -0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9481 1.1177 -1.4101 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1484 0.8949 -1.0981 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4525 -0.3474 0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3626 -1.8347 0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3489 -0.5012 2.0392 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2498 1.4108 1.6826 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4754 2.0015 0.7179 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4698 0.5934 -1.0671 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2569 -1.3681 -1.8692 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1100 -1.9636 -0.9595 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