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
2.6666 -1.1320 -0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1060 0.0368 -0.2938 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6591 0.2220 -0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1029 1.4910 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2475 1.7358 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1165 0.7045 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5828 -0.5546 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2131 -0.8057 0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4653 -1.5908 0.5046 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1705 -2.0638 0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7542 -1.2281 -0.2522 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7150 0.8900 -0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8096 2.2883 -0.5503 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6582 2.7385 -0.3558 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1926 0.8822 0.1454 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1826 -1.7997 0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6905 -1.8145 1.4688 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