Monomers

Methyl 2-phenylacrylate

Identifiers

IUPAC name
methyl 2-phenylprop-2-enoate
InchI
InChI=1S/C10H10O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InchI Key
GQTXKEVAUZYHGE-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)c1ccccc1
Canonical SMILES
COC(=O)C(=C)C1=CC=CC=C1
Isomeric SMILES
COC(=O)C(=C)C1=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
    4.1432    0.2180   -0.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9526    0.2320    0.3051 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6947    0.0574   -0.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6264   -0.1188   -1.4722 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4831    0.0730    0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336    0.2754    1.8567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8623   -0.0939   -0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1188   -0.7505   -1.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4286   -0.8366   -1.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4943   -0.2729   -1.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2446    0.3916    0.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9342    0.4660    0.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9635   -0.0822    0.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0706   -0.4540   -1.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4131    1.2156   -0.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6081    0.4197    2.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2428    0.2818    2.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3058   -1.2127   -1.7391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6029   -1.3552   -2.5986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5184   -0.3174   -1.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0416    0.8611    0.7443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7946    1.0026    1.5503 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
  5  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
  6 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