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
-1.9770 0.4366 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5122 0.4133 0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2083 -0.6845 -0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6516 -0.6932 0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3349 -1.7428 0.0245 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3547 0.4848 0.3997 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4583 0.8142 0.8331 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3769 -0.5521 -0.3471 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2155 1.1403 -0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0183 1.3403 0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3137 -1.6010 -0.2538 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2859 0.6440 -0.0150 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