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
    1.7075   -1.6181    2.0474 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4405   -1.3940    0.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6504   -1.9321    1.0612 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2364   -0.7491   -0.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2687   -0.1245   -0.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0675    0.2495   -0.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8033    1.0613   -1.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0962    1.4342   -1.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7497    1.0341   -0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0716    0.2471    0.8277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7433   -0.1319    0.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0377   -1.4864    3.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1878   -0.7929   -1.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5490    0.2573   -1.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3388    1.4133   -2.3663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6064    2.0639   -1.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7698    1.3184    0.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5280   -0.1008    1.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3032   -0.7494    1.3198 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