Monomers
Cinnamic acid
Identifiers
IUPAC name
(E)-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-VOTSOKGWSA-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
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
4.3809 0.5014 0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2959 -0.3511 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4635 -1.5858 0.1668 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9260 0.1864 -0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9210 -0.6585 -0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4718 -0.2529 -0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4807 -1.2258 -0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7855 -0.8249 -0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 0.5026 -0.4482 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1336 1.4649 -0.4688 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8083 1.0751 -0.3476 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3261 0.2146 0.2585 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7748 1.2455 -0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1011 -1.7409 0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1993 -2.2619 -0.0789 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6017 -1.5450 -0.2994 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1493 0.8412 -0.5457 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3824 2.5291 -0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0603 1.8859 -0.3702 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