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
-2.9652 -1.3378 0.3728 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9873 -0.6441 0.9416 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4007 0.4867 0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0351 0.3860 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9102 0.8694 0.9194 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2844 0.8281 0.7691 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8152 0.2838 -0.3741 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9625 -0.2045 -1.3362 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5907 -0.1545 -1.1683 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4182 -2.1857 0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3670 -1.1090 -0.6081 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6486 -0.9457 1.9268 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9742 0.7000 -0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5724 1.4013 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5604 1.3119 1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9514 1.2230 1.5484 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8978 0.2557 -0.4834 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3990 -0.6298 -2.2307 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0730 -0.5349 -1.9180 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