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
1.9306 0.5630 0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4740 0.3470 0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1678 -0.5617 -0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6063 -0.7074 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2683 -1.5592 -0.8784 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3079 0.0852 0.6688 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2975 0.2765 -0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2391 1.5869 0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4173 -0.1189 0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0815 0.9544 0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3439 -1.2039 -1.1295 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2706 0.3381 0.3937 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