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
3.2157 -0.0097 0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1114 0.5448 0.7251 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1002 1.0181 -0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2105 0.3401 -0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4845 -0.8271 -0.7718 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6976 -1.4869 -0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6599 -0.9587 0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4247 0.2007 0.8946 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1997 0.8298 0.7344 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3951 -0.1238 -0.8123 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9600 -0.3586 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9686 0.6410 1.7901 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0014 2.1221 -0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4326 0.8578 -1.3033 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2594 -1.2753 -1.4485 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9150 -2.3979 -1.1683 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6212 -1.4468 0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2008 0.5886 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0305 1.7416 1.2880 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