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
3.0729 0.6991 -0.7552 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2006 -0.2421 -0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3574 -0.1565 0.7362 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0964 -0.1470 0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7672 1.0442 0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1060 1.0800 -0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8520 -0.0769 -0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1925 -1.2678 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8473 -1.2990 0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6834 0.6128 -1.6454 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1601 1.5483 -0.0897 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0972 -1.0966 -1.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5753 0.8001 1.2765 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5334 -0.9926 1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1773 1.9556 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6123 2.0406 -0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9178 -0.0574 -0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7658 -2.2001 -0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3459 -2.2450 0.4868 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