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
   -4.8812   -0.0921   -0.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5713    0.1968    0.0737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4311   -0.3066   -0.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5354   -1.0835   -1.4732 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1058    0.0425    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0044   -0.4371   -0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3342   -0.1235   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5718    0.7179    0.9734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8688    1.0160    1.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9594    0.4736    0.7846 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7092   -0.3678   -0.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4427   -0.6658   -0.7105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1468    0.6290   -1.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5526    0.1596    0.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0401   -1.1463   -0.6257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0559    0.7175    0.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1056   -1.1183   -1.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7432    1.1873    1.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0209    1.6827    2.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9806    0.6773    1.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5512   -0.8245   -0.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2481   -1.3344   -1.5541 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