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
-3.0611 0.3055 1.0431 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1073 -0.4709 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3439 -0.1147 -0.6489 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1086 0.0029 -0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8701 -1.1383 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2270 -1.1418 -0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8229 0.0562 -0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0600 1.1942 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6940 1.2013 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6355 0.0630 1.9236 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3207 1.2630 0.5652 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9054 -1.3967 1.0695 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4851 -0.8442 -1.4891 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6924 0.8947 -0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4210 -2.0947 -0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8246 -2.0373 -0.5067 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8986 0.0655 0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5526 2.1281 0.4338 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0718 2.0643 0.0651 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