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
2.9325 -0.3251 0.3432 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9166 0.5105 0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5506 0.1491 0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2679 -1.1224 -0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0364 -1.5019 -0.6938 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0628 -0.5799 -0.5802 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7770 0.7021 -0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4904 1.0470 0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8467 1.5811 -0.0399 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9132 0.0346 0.6208 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8786 -1.3453 0.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0611 1.5477 0.7788 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0048 -1.9042 -0.4741 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2392 -2.5051 -1.0403 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0581 -0.8938 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3159 2.0602 0.5367 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6987 2.5455 0.2853 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