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
-3.0791 -0.6768 -0.6401 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1425 0.2419 -0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3572 0.4990 0.5844 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1002 0.2639 0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9450 1.2670 -0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2909 1.0478 -0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8536 -0.1933 -0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0142 -1.1993 0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6691 -0.9745 0.5692 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6770 -0.8945 -1.5188 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3232 -1.2862 0.2404 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9652 0.7982 -1.5486 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4715 1.5500 0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6605 -0.1920 1.3871 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5352 2.2524 -0.2504 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9649 1.8325 -0.6219 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9060 -0.3864 -0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4025 -2.1836 0.5427 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0055 -1.7660 0.9104 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