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
    3.9778   -0.4449   -0.2273 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2577   -0.0271    0.8901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9144    0.2267    1.9282 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8274    0.1172    0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1031   -0.1382   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3474   -0.0065   -0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310   -0.3037   -1.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3984   -0.1935   -1.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1701    0.2132   -0.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5023    0.5060    0.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1163    0.4012    0.8411 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8094   -1.0293   -0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3371    0.4447    1.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6243   -0.4647   -1.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4093   -0.6227   -2.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8807   -0.4389   -2.4608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2435    0.2905   -0.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1129    0.8276    1.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6391    0.6424    1.7798 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