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
-3.1633 -0.0738 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1016 0.7048 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2120 0.4792 0.8315 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1689 0.1502 0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1318 1.1148 0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4108 0.7385 -0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7609 -0.5788 -0.4204 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7899 -1.5354 -0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5154 -1.1669 0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8512 0.0662 -1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3808 -0.8753 0.2619 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9223 1.4729 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6152 -0.3002 1.5072 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1286 1.4699 1.3641 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8929 2.1672 0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1551 1.5172 -0.3677 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7744 -0.8532 -0.7401 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0233 -2.5832 -0.3649 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2485 -1.9142 0.3562 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