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
2.9789 0.8182 0.8958 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1711 0.5195 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3771 -0.7483 -0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0816 -0.4372 -0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7337 -0.3418 -1.3459 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0863 -0.0545 -1.4257 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8013 0.1411 -0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1807 0.0534 0.9827 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8328 -0.2346 1.0166 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5567 1.7290 0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0608 0.1502 1.7241 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0921 1.2105 -0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6921 -1.3432 -0.9573 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5602 -1.2667 0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1815 -0.4929 -2.2429 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5821 0.0171 -2.3834 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8618 0.3651 -0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7816 0.2145 1.8661 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3655 -0.2994 1.9899 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