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
-2.4772 -1.3599 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0727 -0.1157 -0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6764 0.2199 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3199 1.5602 -0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0158 1.8694 -0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9632 0.8747 -0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6417 -0.4646 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2706 -0.7713 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6091 -1.4590 -0.0151 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8450 -2.2337 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5616 -1.5817 -0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8061 0.6715 -0.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0863 2.3448 -0.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3160 2.9221 -0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0336 1.1150 -0.0858 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0699 -1.8330 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9253 -1.7585 0.9143 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