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
-2.8858 0.2783 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0050 -0.6713 0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5785 -0.4440 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3233 -1.5056 0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6862 -1.3069 0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2228 -0.0628 -0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3670 0.9930 -0.2505 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0023 0.7760 -0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8546 2.2924 -0.4980 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6013 1.3073 -0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9683 0.0873 -0.0535 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3600 -1.6681 0.2699 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0645 -2.4971 0.4151 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3591 -2.1624 0.3401 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2929 0.0918 -0.0898 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6479 1.6414 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0031 2.8507 0.3549 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