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
2.5981 1.0965 0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9465 -0.0132 0.7139 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5741 -0.2505 0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0349 -1.4798 0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3377 -1.7160 0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1020 -0.7616 -0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5070 0.4576 -0.7215 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1840 0.7072 -0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2576 1.4432 -1.3668 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6220 1.2173 0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1529 1.9551 0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4779 -0.8330 1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5707 -2.2439 1.0544 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8015 -2.6713 0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1248 -0.9268 -0.7885 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2414 1.6729 -0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8344 2.3463 -1.5533 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