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
3.0638 0.8611 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1146 -0.0451 0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3703 -0.4985 -0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0832 -0.2486 -0.4383 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8668 -1.2261 0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2327 -1.0867 0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8345 0.0585 -0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0661 1.0599 -0.7641 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7001 0.8953 -0.8791 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3258 1.2989 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6286 1.2122 1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9027 -0.4394 1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7104 -0.0114 -1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5113 -1.6054 -0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4168 -2.1413 0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8424 -1.8745 0.6963 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9090 0.1680 -0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5698 1.9498 -1.1037 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1060 1.6733 -1.3205 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