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
    4.2458    1.1711   -0.1947 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3065    0.1558   -0.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7300   -1.0195   -0.3108 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8492    0.4307   -0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9878   -0.5585   -0.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4387   -0.3514   -0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9268    0.9234    0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2926    1.1611    0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1423    0.0825    0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6655   -1.1949    0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3260   -1.4275   -0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1906    0.9813   -0.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6224    1.4809   -0.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3526   -1.5784   -0.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2933    1.8268    0.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6821    2.1713    0.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2332    0.2124    0.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3559   -2.0289    0.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9286   -2.4381   -0.1358 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