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
2.9567 -0.3747 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9761 0.4523 0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5948 0.0758 0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1834 -1.1474 -0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1637 -1.4149 -0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1552 -0.5099 -0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7540 0.7108 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4220 0.9963 0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7309 1.6510 0.4831 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9668 -0.0333 0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7422 -1.3446 -0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1586 1.4572 0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9273 -1.9117 -0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4407 -2.3929 -0.9715 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2171 -0.7628 -0.4483 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1234 1.9775 0.7369 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4987 2.5713 0.8407 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