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
-2.7170 0.2306 -0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7727 -0.6726 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3931 -0.2663 -0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0280 1.0447 0.0589 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3263 1.3335 0.2334 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3009 0.3708 0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8606 -0.9298 0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5503 -1.2764 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4927 1.2653 -0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7455 -0.1422 -0.4436 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0238 -1.7481 -0.3394 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6995 1.8759 0.0303 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6316 2.3670 0.3304 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3497 0.6042 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5869 -1.7382 0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2662 -2.3183 -0.1071 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