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
-2.6760 0.6942 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8730 -0.2437 -0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4475 -0.1879 -0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3971 -1.2049 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7515 -1.1977 -0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2935 -0.1043 0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5051 0.9187 0.6932 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1236 0.8657 0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3138 1.5595 0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7488 0.6505 -0.1773 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2836 -1.1076 -0.9006 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0699 -2.0452 -1.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4080 -1.9998 -0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3684 -0.0870 0.4215 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9701 1.7595 1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4047 1.7300 0.8558 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