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
    4.3509    0.8150    0.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3415   -0.0079   -0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6744   -1.0817   -0.6063 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9197    0.3336    0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9895   -0.4656   -0.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4338   -0.2510   -0.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3122   -1.2014   -0.8393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6651   -0.9860   -0.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2072    0.1416   -0.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3123    1.0447    0.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9364    0.8886    0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2025    0.8486   -0.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6281    1.2569    0.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3324   -1.3960   -0.8528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098   -2.1058   -1.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3255   -1.7502   -1.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2873    0.3007   -0.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7304    1.9440    0.7830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3189    1.6718    0.7205 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