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
-1.9138 -0.4759 -0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5178 0.0212 -0.2976 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2346 -0.0923 0.7838 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6040 0.3972 0.8069 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3097 0.2841 1.8398 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1971 1.0062 -0.2925 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6372 0.3192 -0.5992 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1757 -0.8044 0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9939 -1.3698 -0.9807 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1173 0.4849 -1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1530 -0.5534 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1633 0.7830 -0.5504 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