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
3.1065 0.8845 -0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1157 0.1695 -0.7689 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3498 -0.7421 0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0982 -0.3988 0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6268 0.4746 1.0848 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9715 0.7796 1.1143 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8556 0.2282 0.2127 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3384 -0.6432 -0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9927 -0.9446 -0.7475 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3594 0.8107 0.7679 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6981 1.5710 -0.8712 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8986 0.2802 -1.8198 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7835 -0.8106 1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3932 -1.7870 -0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0797 0.9075 1.7961 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3689 1.4630 1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9097 0.4717 0.2411 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0321 -1.0854 -1.4419 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5905 -1.6289 -1.4828 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