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
-3.1614 -0.4945 0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2224 0.3265 0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2432 -0.0708 -0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1500 0.0017 -0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9012 1.1611 -0.5622 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2031 1.2483 -0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7946 0.1603 0.4977 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0484 -1.0103 0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7524 -1.0842 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2120 -1.4843 0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8570 -0.1715 1.2838 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1295 1.3471 0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3384 0.6454 -1.7928 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4431 -1.1010 -1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4456 2.0129 -1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7769 2.1780 -0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8240 0.1901 0.8756 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5355 -1.8397 1.0914 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1751 -2.0152 0.2620 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