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
-3.0161 0.0072 0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9517 -0.6259 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5777 -0.1472 -0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2706 1.0336 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0368 1.4648 0.6726 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0703 0.7004 0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7981 -0.4964 -0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4860 -0.8875 -0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8207 -1.2748 -1.0067 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0247 -0.3907 0.0595 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9643 0.9484 0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1091 -1.5639 -0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1004 1.6331 0.9452 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2357 2.4003 1.1784 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0742 1.0240 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2164 -1.8281 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2765 -1.9974 -0.4476 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