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
    4.4168    0.1106    0.5250 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2775   -0.5419    0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4551   -1.6483   -0.5211 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9370   -0.0151    0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8887   -0.6780   -0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621   -0.1771    0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7670    0.9932    0.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0735    1.4450    0.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1012    0.6812    0.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8440   -0.5277   -0.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5168   -0.9273   -0.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2760   -0.0360    0.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8382    0.9198    0.7886 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0570   -1.6436   -0.6914 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0080    1.6234    1.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2754    2.3724    1.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1100    1.0202    0.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6666   -1.1000   -0.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3378   -1.8706   -0.9901 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