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
3.0657 0.1127 0.9715 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1971 -0.2527 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2740 0.7145 -0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1357 0.2782 -0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8393 0.6987 0.7482 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1392 0.2959 0.9794 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7889 -0.5486 0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0990 -0.9815 -1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7894 -0.5669 -1.2351 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1593 1.1131 1.3348 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7106 -0.6448 1.3948 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1405 -1.2812 -0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4151 1.6890 -0.1078 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5022 0.7862 -1.6843 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3163 1.3651 1.4324 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6449 0.6674 1.8835 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8065 -0.8669 0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6233 -1.6410 -1.6886 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2821 -0.9371 -2.1382 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