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
2.6600 -1.1090 -0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0799 0.0646 -0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6301 0.2518 -0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0987 1.5479 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2602 1.7659 -0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0973 0.6867 0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5711 -0.5796 0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2015 -0.8354 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4303 -1.6811 0.1828 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7617 -1.1397 -0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1110 -2.0411 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7404 0.9463 -0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8258 2.3629 -0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6438 2.7905 -0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1622 0.8526 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1386 -1.8584 0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6800 -2.0250 1.1188 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