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
    4.5898    0.3266   -0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1766    0.2694   -0.0609 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4858   -0.7770    0.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1059   -1.7533    0.9615 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0050   -0.8333    0.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2821    0.1545    0.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1761    0.1420    0.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8877    1.2287   -0.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2514    1.3145   -0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9679    0.2576    0.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3035   -0.8272    0.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9168   -0.8817    0.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0198    0.7195    0.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0202   -0.6961   -0.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9539    0.9697   -0.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5072   -1.6758    0.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7842    1.0110   -0.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    2.0466   -0.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7792    2.1613   -0.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0596    0.2699    0.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8660   -1.6608    1.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4233   -1.7661    1.0854 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