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
2.3712 -1.6801 1.2647 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7047 -1.3557 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8949 -1.8190 -0.3340 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0278 -0.6333 -1.0367 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9316 -0.0213 -1.2287 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2528 0.2738 -0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5051 -0.0959 0.8176 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6881 0.2237 1.5038 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6764 0.9424 0.8927 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4564 1.3295 -0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3007 1.0153 -1.0708 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0098 -1.6848 2.0632 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6978 -0.5986 -1.9907 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8520 0.4266 -2.3003 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2369 -0.6587 1.3374 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7979 -0.1125 2.5267 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5942 1.1930 1.4179 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2563 1.9065 -0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1987 1.3493 -2.0779 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