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
-3.1408 -0.1518 0.6002 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1481 -0.4888 -0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2456 0.5423 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1596 0.2753 -0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9429 -0.5223 -1.1127 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2435 -0.7849 -0.7352 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7884 -0.2706 0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0019 0.5307 1.2127 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6791 0.8025 0.8361 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8201 -0.8816 1.0258 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2823 0.8929 0.8395 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0002 -1.5436 -0.4439 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5135 1.5294 -0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3326 0.5622 -1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5525 -0.9580 -2.0455 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8374 -1.4311 -1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8031 -0.4805 0.7042 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4210 0.9427 2.1253 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0540 1.4353 1.4617 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