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
-1.9357 0.0297 -0.4021 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5643 0.3677 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3469 -0.5758 0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7086 -0.3115 0.5472 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5822 -1.2113 0.6117 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0801 0.9742 0.9073 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2007 -1.0038 -0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9243 0.0239 -1.5241 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7065 0.6986 0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3210 1.3863 0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0891 -1.5836 -0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8456 1.2056 1.5103 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