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
2.7841 1.4771 0.5634 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7339 1.3596 -0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3345 0.0561 -0.8275 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0228 -0.3155 -0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2327 -1.0804 0.7847 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5133 -1.4117 1.2108 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6122 -0.9814 0.5104 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4252 -0.2127 -0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1399 0.1141 -1.0458 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4177 0.6358 0.7659 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0309 2.4267 0.9966 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0876 2.2124 -0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3532 0.1780 -1.9361 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0988 -0.6800 -0.5487 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6583 -1.4147 1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6578 -2.0192 2.1096 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6302 -1.2052 0.7901 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2971 0.1387 -1.1973 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9677 0.7225 -1.9443 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