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
Resources
cid=

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
    4.4093   -0.4681   -1.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0072   -0.4044   -0.9566 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5039    0.6966   -0.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3318    1.5998    0.0514 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0782    0.8138    0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2758   -0.1580   -0.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1452   -0.0933   -0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9401   -1.1455   -0.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3016   -1.1781   -0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8987   -0.1351    0.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1059    0.9163    0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7327    0.9507    0.6509 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4888   -0.8021   -2.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532    0.5649   -1.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9391   -1.1679   -0.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7160    1.6712    0.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6924   -1.0238   -0.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5187   -1.9947   -0.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8909   -2.0254   -0.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9740   -0.1549    0.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5989    1.7294    1.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1889    1.8086    1.0067 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