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
4.3299 -0.1943 0.8265 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2841 0.3617 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5327 1.2305 -0.7183 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9260 -0.0666 0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9421 0.4828 -0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4667 0.1493 -0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3959 0.8080 -0.8978 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7382 0.5044 -0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1636 -0.4360 0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2397 -1.0888 0.9236 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8704 -0.7963 0.7956 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2614 -0.1431 0.3873 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7774 -0.8261 1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2308 1.2477 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0609 1.5498 -1.6096 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4914 0.9962 -1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2053 -0.6502 0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5043 -1.8339 1.6473 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1480 -1.2950 1.3911 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