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
    4.2928   -0.0560   -1.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5767    0.0460   -0.0305 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379   -0.0044   -0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6842   -0.1377   -1.1783 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4124    0.0977    1.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2144    0.1097    1.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0858    0.0303    0.8961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2289   -0.1326    1.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4945   -0.1745    1.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7441   -0.0631   -0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6667    0.0953   -0.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3615    0.1393   -0.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7723    0.9179   -1.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6365   -0.3439   -2.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1031   -0.8060   -1.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1232    0.2001    2.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1436    0.2307    2.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0444   -0.2246    2.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3448   -0.3019    1.8763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7657   -0.1054   -0.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8036    0.1884   -2.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5570    0.2948   -1.1268 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