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
2.8592 0.7301 1.0751 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 -0.0427 0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2604 0.6465 -0.7178 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1202 0.1520 -0.4256 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6199 -0.9658 -1.0571 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8696 -1.4548 -0.8252 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6815 -0.7965 0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1868 0.3242 0.7286 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9244 0.8056 0.4844 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5250 0.2696 1.7913 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7853 1.8062 1.0582 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2606 -1.1155 0.2928 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2791 1.7287 -0.6122 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5679 0.3911 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0030 -1.5091 -1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2689 -2.3427 -1.3256 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6867 -1.1714 0.2935 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8159 0.8578 1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5280 1.6867 0.9810 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