Monomers

cis-Cinnamic acid

Identifiers

IUPAC name
(Z)-3-phenylprop-2-enoic acid
InchI
InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6-
InchI Key
WBYWAXJHAXSJNI-SREVYHEPSA-N
SMILES
OC(=O)/C=C\c1ccccc1
Canonical SMILES
C1=CC=C(C=C1)C=CC(=O)O
Isomeric SMILES
C1=CC=C(C=C1)/C=C\C(=O)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H8O2
Heavy Atom Count
11
Molecular Weight
148.161
Exact Molecular Weight
148.0524
Valence Electrons
56
Radical Electrons
0
tPSA
37.3
MolLogP
1.7844
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    4.3905   -0.4713   -0.5083 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2847    0.3284   -0.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4497    1.5250   -0.8912 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9032   -0.1604   -0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8991    0.6687   -0.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4772    0.2460   -0.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7629   -1.0531    0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0848   -1.4304    0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0946   -0.5054    0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8328    0.8079   -0.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5237    1.1745   -0.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3199   -0.2111   -0.7961 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -1.2074   -0.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0912    1.6967   -0.7550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0154   -1.8412    0.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3096   -2.4752    0.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1310   -0.8062    0.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6580    1.5254   -0.3632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2898    2.1890   -0.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  1 12  1  0
  4 13  1  0
  5 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers