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
2.8506 -0.4538 1.3964 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0913 -0.6879 0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4592 0.4399 -0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0402 0.2846 -0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8088 0.8324 0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1827 0.7184 0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8012 -0.0000 -0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0523 -0.5749 -1.3362 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6834 -0.4263 -1.3553 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0503 0.5487 1.7623 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3097 -1.2728 1.9384 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9158 -1.6921 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8361 0.4214 -1.4489 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7056 1.4206 0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2929 1.3898 1.4005 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7770 1.1570 1.4925 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8676 -0.1109 -0.2819 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6100 -1.1204 -2.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1026 -0.8735 -2.1577 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