Monomers
Crotonic acid
Identifiers
IUPAC name
(E)-but-2-enoic acid
InchI
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
InchI Key
LDHQCZJRKDOVOX-NSCUHMNNSA-N
SMILES
C/C=C/C(=O)O
Canonical SMILES
CC=CC(=O)O
Isomeric SMILES
C/C=C/C(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H6O2
Heavy Atom Count
6
Molecular Weight
86.09
Exact Molecular Weight
86.0368
Valence Electrons
34
Radical Electrons
0
tPSA
37.3
MolLogP
0.6471
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
12 11 0 0 0 0 0 0 0 0999 V2000
-1.4599 0.2134 -0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7091 -0.9753 -0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4522 -0.8697 0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0636 0.4259 0.7058 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5352 1.5106 0.3514 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3188 0.5455 1.3363 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8785 0.7729 -1.3533 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3914 -0.1067 -1.0982 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7157 0.8953 0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1417 -1.9530 -0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9611 -1.7484 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9655 1.2896 1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
3 4 1 0
4 5 2 0
4 6 1 0
1 7 1 0
1 8 1 0
1 9 1 0
2 10 1 0
3 11 1 0
6 12 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers