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
3.1219 -0.0878 0.6741 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2096 0.4473 -0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2579 -0.4136 -0.8154 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1560 -0.1364 -0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9576 0.7616 -1.1439 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2794 0.9480 -0.7319 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7951 0.2407 0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9858 -0.6550 1.0177 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6787 -0.8320 0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8582 0.5079 1.2229 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1689 -1.1567 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1779 1.5205 -0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3438 -0.1902 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4717 -1.4670 -0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5454 1.3010 -1.9769 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9294 1.6329 -1.2287 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8055 0.3517 0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3840 -1.2147 1.8678 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0929 -1.5582 1.1778 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