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
    4.8767   -0.5843    0.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5038   -0.8876    0.4750 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4887   -0.0458    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8713    0.9525   -0.6627 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0830   -0.3131    0.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1742    0.4886   -0.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2722    0.3011    0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7908   -0.7579    0.7243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1704   -0.8820    0.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0488    0.0427    0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5371    1.0982   -0.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1824    1.2002   -0.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9304   -0.0700   -0.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2043    0.1504    0.9709 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5005   -1.4957    0.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8053   -1.1811    0.8321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4835    1.3644   -0.7763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621   -1.4940    1.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6075   -1.7017    1.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1277   -0.0412    0.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2425    1.8185   -0.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7802    2.0379   -1.0648 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