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
-3.1554 0.5660 -0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1580 -0.2047 -0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2237 -0.7645 0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1673 -0.3147 0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9623 -1.0895 -0.5771 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2576 -0.7043 -0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7744 0.4545 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9622 1.2051 0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6648 0.8385 0.8396 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2849 0.7854 1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8725 1.0023 -0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0424 -0.4135 -1.4922 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1979 -1.8896 0.5133 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5568 -0.5092 1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5738 -1.9931 -1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8844 -1.2937 -1.5003 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7801 0.7662 -0.4828 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3907 2.1012 0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0740 1.4574 1.4970 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