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
3.1229 0.4357 -0.4532 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1737 -0.4615 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2628 -0.2888 0.9419 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1534 -0.1897 0.5321 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6615 1.0609 0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9578 1.2746 -0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7868 0.1715 -0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3279 -1.0837 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0028 -1.2601 0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2658 1.3094 0.1765 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8070 0.3436 -1.2893 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0986 -1.3110 -0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5350 0.6548 1.4524 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4191 -1.0842 1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0183 1.9288 0.3367 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3130 2.2885 -0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8203 0.3636 -0.5616 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0127 -1.9181 -0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6303 -2.2344 0.6232 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