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
2.9678 0.3229 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9300 -0.3842 -0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5984 -0.1280 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3393 0.8836 0.7298 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9672 1.0938 1.1883 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0273 0.3191 0.7719 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7398 -0.6852 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4702 -0.9249 -0.6031 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8295 -1.4688 -0.5454 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9667 0.0942 -0.7143 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9440 1.1434 0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0848 -1.2020 -1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1156 1.5354 1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1783 1.8905 1.8985 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0406 0.4756 1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3078 -1.7387 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3858 -1.2268 -1.3531 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