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
3.1738 0.1318 -0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2029 -0.4959 0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2689 0.2095 0.9695 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1417 0.0903 0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9419 -0.9384 1.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2782 -1.0341 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8089 -0.1079 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0263 0.9214 -0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7175 0.9993 -0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3254 1.2126 -0.4639 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8754 -0.3707 -1.2151 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0988 -1.5639 -0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3210 -0.1572 2.0333 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5120 1.3118 0.9981 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5299 -1.6700 1.6785 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8840 -1.8602 0.9755 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8530 -0.1697 -0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4657 1.6577 -1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1312 1.8334 -0.6967 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