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
-2.9315 -0.5776 -0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7320 -1.0844 -0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5177 -0.2853 -0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5324 1.0728 0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6442 1.7881 0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8848 1.2015 0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9159 -0.1556 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7412 -0.8652 -0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1510 -0.7697 -0.2931 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1362 0.4650 0.0464 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8086 -1.2049 -0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6182 -2.1415 -0.4419 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4781 1.5974 0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6479 2.8711 0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8074 1.7898 0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7538 -1.9395 -0.4523 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2085 -1.7620 -0.4688 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