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
    3.8848    0.3613   -0.4240 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2788   -0.7717    0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0453   -1.6966    0.4792 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8324   -0.8438    0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0915    0.1419   -0.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3726    0.1637   -0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0515    1.2757   -0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4232    1.3733   -0.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1469    0.3095    0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4803   -0.8044    0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0854   -0.8778    0.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    0.6632   -0.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3805   -1.7269    0.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5962    1.0261   -0.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4951    2.1107   -0.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9498    2.2657   -0.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2241    0.4220    0.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759   -1.6188    0.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6195   -1.7731    0.8023 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