Monomers
Styrene
Identifiers
IUPAC name
styrene
InchI
InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
InchI Key
PPBRXRYQALVLMV-UHFFFAOYSA-N
SMILES
C=Cc1ccccc1
Canonical SMILES
C=CC1=CC=CC=C1
Isomeric SMILES
C=CC1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H8
Heavy Atom Count
8
Molecular Weight
104.152
Exact Molecular Weight
104.0626
Valence Electrons
40
Radical Electrons
0
tPSA
0.0
MolLogP
2.3296
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
16 16 0 0 0 0 0 0 0 0999 V2000
2.7972 0.0179 -0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7797 -0.7508 -0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3986 -0.2935 0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6155 -1.2064 0.3691 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9350 -0.8296 0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2910 0.4886 0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3290 1.4180 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0128 1.0025 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8135 -0.3337 -0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6276 1.0662 -0.5017 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0171 -1.8139 0.1321 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3120 -2.2285 0.5242 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7170 -1.5382 0.7148 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3442 0.8027 0.3506 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6163 2.4467 -0.1964 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7391 1.7521 -0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 3 1 0
1 9 1 0
1 10 1 0
2 11 1 0
4 12 1 0
5 13 1 0
6 14 1 0
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers