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
2.7230 0.7077 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9100 -0.3217 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4580 -0.1904 -0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2143 1.0117 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6022 1.0736 0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3759 -0.0608 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7139 -1.2681 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3406 -1.3283 -0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7819 0.5303 0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3759 1.7179 0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3259 -1.3432 -0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3840 1.9103 0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0998 2.0291 0.0921 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4615 0.0051 0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3187 -2.1743 -0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1682 -2.2990 -0.0978 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