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
2.9775 0.2323 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8933 0.8898 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5604 0.2571 -0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3656 -1.0590 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8671 -1.6908 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9636 -0.9423 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7827 0.3950 -0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5562 1.0059 -0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9403 1.1040 -0.7699 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9392 0.7622 0.2689 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0391 -0.7999 0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9691 1.9336 -0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2373 -1.6301 0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0193 -2.7224 0.5816 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9589 -1.3629 -0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4113 2.0264 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4820 1.6012 -0.0787 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