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
2.6477 -0.7020 0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8316 0.3015 0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4140 0.1943 0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1387 -0.9732 -0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5154 -1.0470 -0.5404 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2868 0.0717 -0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7507 1.2677 0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4001 1.3110 0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7289 -0.5653 0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3434 -1.6741 -0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2423 1.2649 0.7184 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4431 -1.8638 -0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9181 -1.9984 -0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3430 0.0263 -0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3644 2.1649 0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0663 2.2215 0.6434 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