Monomers
2-Propenoic acid, 3-phenyl-, methyl ester
Identifiers
IUPAC name
methyl 3-phenylprop-2-enoate
InchI
InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3
InchI Key
CCRCUPLGCSFEDV-UHFFFAOYSA-N
SMILES
COC(=O)C=Cc1ccccc1
Canonical SMILES
COC(=O)C=CC1=CC=CC=C1
Isomeric SMILES
COC(=O)C=CC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H10O2
Heavy Atom Count
12
Molecular Weight
162.188
Exact Molecular Weight
162.0681
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
1.8728
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
22 22 0 0 0 0 0 0 0 0999 V2000
4.5248 -0.0745 0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1309 -0.0252 0.0842 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3751 -0.6800 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9837 -1.3259 -1.7562 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9140 -0.6132 -0.8383 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2954 0.0647 0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1545 0.1710 0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9912 -0.4457 -0.7242 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3815 -0.3210 -0.6067 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8735 0.4224 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0622 1.0564 1.3491 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7030 0.9298 1.2277 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9089 0.7334 0.7513 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9780 -0.0370 -0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8326 -1.0301 0.5499 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3370 -1.1225 -1.5807 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9145 0.5699 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6100 -1.0474 -1.5569 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0294 -0.8087 -1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9316 0.5421 0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4591 1.6436 2.1606 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9989 1.3980 1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 3
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 7 1 0
1 13 1 0
1 14 1 0
1 15 1 0
5 16 1 0
6 17 1 0
8 18 1 0
9 19 1 0
10 20 1 0
11 21 1 0
12 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers