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
2.7610 0.3366 -0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8245 -0.5604 0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3894 -0.2439 0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5109 -1.2542 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8715 -1.0369 0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3012 0.2327 -0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4371 1.2610 -0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0631 0.9959 -0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7988 0.0360 -0.0138 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5542 1.3667 -0.3715 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1547 -1.5611 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1327 -2.2274 0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5813 -1.8434 0.5003 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3739 0.4464 -0.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8142 2.2397 -0.6025 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6032 1.8123 -0.4898 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