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
    4.8918   -0.0436    0.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5406   -0.5047    0.2707 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4748    0.3599    0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7668    1.5762   -0.1065 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0876   -0.0927    0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0654    0.6963    0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3055    0.2518    0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6461   -1.0481    0.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9743   -1.4898    0.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9894   -0.5808    0.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6826    0.7409   -0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    1.1419   -0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9642    1.0158    0.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4538   -0.7084    0.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2920   -0.2793   -0.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -1.1400    0.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2565    1.7453   -0.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9093   -1.8163    0.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2277   -2.5218    0.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0137   -0.9287    0.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4960    1.4505   -0.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1165    2.1757   -0.2510 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