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
3.0190 0.0277 0.8606 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1428 0.5373 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3604 -0.3501 -0.8667 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0970 -0.1840 -0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7188 -0.9758 0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0713 -0.7966 0.5913 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8337 0.1369 -0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2058 0.9246 -1.0142 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8582 0.7529 -1.2549 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5981 0.6531 1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1643 -1.0346 0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9786 1.6047 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5608 -0.0228 -1.9282 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6809 -1.3929 -0.7067 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1563 -1.7394 0.9176 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5590 -1.4299 1.3435 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9068 0.2620 0.1305 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7654 1.6688 -1.5577 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3324 1.3583 -1.9919 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