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
-4.3648 -0.3307 -0.3205 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2745 -0.0662 0.4815 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4150 0.2395 1.6849 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9455 -0.1428 -0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9083 0.1077 0.6837 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4706 0.0600 0.2284 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7701 -0.2589 -1.0572 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0942 -0.2916 -1.4441 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1053 -0.0052 -0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8153 0.3226 0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4840 0.3442 1.1212 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3170 -0.0345 -0.0548 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8476 -0.4121 -1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0935 0.3725 1.7385 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0384 -0.4900 -1.8012 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3529 -0.5439 -2.4654 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1487 -0.0204 -0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6201 0.5463 1.4771 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2667 0.6036 2.1618 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