Monomers
3-Vinylphenol
Identifiers
IUPAC name
3-ethenylphenol
InchI
InChI=1S/C8H8O/c1-2-7-4-3-5-8(9)6-7/h2-6,9H,1H2
InchI Key
YNGIFMKMDRDNBQ-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)O
Canonical SMILES
C=CC1=CC(=CC=C1)O
Isomeric SMILES
C=CC1=CC(=CC=C1)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H8O
Heavy Atom Count
9
Molecular Weight
120.151
Exact Molecular Weight
120.0575
Valence Electrons
46
Radical Electrons
0
tPSA
20.23
MolLogP
2.0352
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
17 17 0 0 0 0 0 0 0 0999 V2000
-2.8007 0.7388 0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0572 -0.3496 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6134 -0.3552 0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0904 -1.5413 0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4672 -1.5577 -0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1666 -0.3881 -0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4712 0.7952 -0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0819 0.8103 -0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2032 1.9665 -0.4116 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3498 1.7138 0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8951 0.6677 0.2898 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6014 -1.3064 0.3143 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4655 -2.4548 0.1923 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0071 -2.4760 -0.0498 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2562 -0.4150 -0.3318 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3719 1.7846 -0.1437 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4111 2.3672 -1.3205 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
7 9 1 0
8 3 1 0
1 10 1 0
1 11 1 0
2 12 1 0
4 13 1 0
5 14 1 0
6 15 1 0
8 16 1 0
9 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers