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
    3.9839    0.2635    0.5044 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2610   -0.9228    0.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9301   -1.9871    0.3814 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8074   -0.9259    0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1021    0.1824    0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3507    0.2329    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1529   -0.8778    0.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.7949    0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1594    0.4214    0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3815    1.5625    0.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0136    1.4568    0.2906 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9611    0.3317    0.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018   -1.8737    0.2415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6701    1.1218    0.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7124   -1.8629    0.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1439   -1.6840    0.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2388    0.4794    0.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9060    2.5106    0.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4260    2.3661    0.3718 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