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
2.7659 -0.4446 0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0647 0.4403 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6325 0.3015 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0526 1.2971 -0.8326 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4088 1.2270 -1.0471 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1388 0.1533 -0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4951 -0.8368 0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1149 -0.7496 0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2123 -1.9289 0.6517 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3056 -1.3124 1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8533 -0.3314 0.8588 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 1.2963 -0.3343 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5550 2.1178 -1.1992 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9172 2.0181 -1.6068 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2022 0.1398 -0.7479 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3720 -1.5449 0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5948 -1.8426 1.5849 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