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
2.1317 1.2846 -0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2901 0.2060 -0.8242 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2062 -0.7708 -1.0756 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0553 -0.4502 -0.4177 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2821 -0.9364 0.8489 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4381 -0.6876 1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4061 0.0717 0.9677 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1972 0.5722 -0.3104 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0343 0.3189 -1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9618 1.9531 0.0764 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2107 1.5332 0.4257 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2432 -0.0007 -1.2982 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0988 -0.8830 -2.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5789 -1.7606 -0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4775 -1.5484 1.3376 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5628 -1.0969 2.5432 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3218 0.2776 1.5021 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9928 1.1830 -0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9087 0.7343 -2.0161 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