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
-2.7759 0.3090 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8278 -0.5699 -0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4145 -0.2753 0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0428 0.9773 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3803 1.2579 0.6482 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3174 0.2618 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8955 -1.0026 0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5499 -1.2493 -0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8128 0.0542 -0.0998 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6018 1.3457 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0956 -1.5857 -0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6406 1.7929 0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7485 2.2325 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3819 0.4680 0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6467 -1.7605 -0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2059 -2.2560 -0.3365 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