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
2.7370 -0.9114 -0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0347 0.1730 -0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6138 0.2692 -0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0250 1.4851 -0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3620 1.6536 -0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0563 0.5680 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4507 -0.6384 0.5763 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1008 -0.7948 0.3336 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2368 -1.6872 1.0789 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8177 -0.9485 -0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2402 -1.7820 0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5726 1.0384 -0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5539 2.2995 -0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8781 2.5939 -0.3557 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1331 0.7131 0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3287 -1.7607 0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6556 -2.2709 0.3369 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