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
3.1089 -0.1814 -0.7822 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1110 -0.7346 -0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3182 -0.0372 0.9201 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1088 0.0538 0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5703 1.1473 -0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9212 1.2707 -0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8287 0.2920 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3756 -0.8076 0.6055 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0377 -0.9015 0.9283 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6447 -0.7299 -1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3911 0.8297 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8246 -1.7566 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7393 1.0021 0.9885 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5009 -0.4892 1.9293 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1497 1.9056 -0.4039 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2543 2.1499 -1.0261 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8846 0.3617 -0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0924 -1.5883 0.8979 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7146 -1.7863 1.4891 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