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
-3.8104 0.3192 -1.0688 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0640 -0.8588 -1.1503 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6761 -1.8680 -1.5788 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6654 -0.8840 -0.7558 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0395 0.1611 -0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3533 0.2230 0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1727 -0.8988 0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5039 -0.8195 0.4552 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9946 0.3872 0.8987 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1916 1.5060 0.9494 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8690 1.4309 0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7823 0.3428 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1506 -1.8236 -0.8439 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6316 1.0849 -0.2523 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7713 -1.8394 -0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1568 -1.7008 0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0332 0.4813 1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5675 2.4716 1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2059 2.2848 0.5757 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