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
-2.0668 -1.6921 1.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6813 -1.2880 -0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5770 -0.3783 -0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1978 0.0292 -1.5363 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8470 0.8942 -1.7702 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5636 1.3919 -0.7038 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2299 1.0215 0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1582 0.1371 0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9444 1.5161 1.6655 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8999 -2.3790 1.2665 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5528 -1.3437 1.9879 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2494 -1.6814 -0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7711 -0.3722 -2.3497 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1335 1.2038 -2.7645 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4032 2.0826 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0470 -0.1093 1.8128 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7632 0.9678 1.9742 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