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
3.8408 -0.2936 0.7118 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1251 -1.1600 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7351 -2.1108 -0.6295 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6699 -0.9957 -0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0636 -0.0109 0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3543 0.2382 0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9349 1.3303 0.7956 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2624 1.5490 0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0418 0.7231 -0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4728 -0.3451 -0.7704 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1127 -0.5989 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8064 -0.0585 0.4305 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1847 -1.7078 -0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6257 0.6721 0.9047 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2840 1.9592 1.4002 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7427 2.4030 1.1591 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1087 0.8935 -0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0559 -1.0232 -1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6810 -1.4639 -1.1710 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