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
-1.9091 -0.6283 1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3397 -0.6737 0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4399 -0.3396 -0.8972 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0756 0.0286 -0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8862 -0.9453 -0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1800 -0.6260 0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4958 0.6738 0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5520 1.6719 0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2678 1.3232 -0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5530 -0.8713 2.3132 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8684 -0.3360 1.6289 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3543 -0.9567 0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3171 -1.2002 -1.6156 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8865 0.4885 -1.4904 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6147 -1.9662 -0.5396 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9314 -1.3994 0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4839 0.9742 0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8118 2.6969 0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4800 2.0855 -0.2523 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