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
2.6755 0.7027 0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9099 -0.2497 -0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4615 -0.1610 -0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3475 -1.2069 -0.5807 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7175 -1.1943 -0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3444 -0.1069 0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6127 0.9352 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2127 0.8948 0.4541 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2988 1.5913 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7573 0.6347 0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3912 -1.1205 -0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1995 -2.0485 -1.0251 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3056 -2.0413 -0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4282 -0.1460 0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0810 1.7845 0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3560 1.7318 0.8405 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