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
-2.9798 0.2581 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9906 -0.2306 -0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6091 -0.0188 -0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1880 0.6867 0.9308 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1635 0.8776 1.2435 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1140 0.3192 0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7234 -0.4062 -0.6718 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3792 -0.5790 -0.9573 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6727 -0.9775 -1.5104 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0241 0.0904 -0.0389 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8030 0.8481 1.1216 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2609 -0.8203 -1.3706 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9005 1.1413 1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4908 1.4444 2.1005 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1797 0.4408 0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0475 -1.1502 -1.8208 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9854 -1.9239 -1.2939 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