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
-1.9154 0.6264 0.3782 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5032 0.4199 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2264 -0.5924 0.3975 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5967 -0.7863 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2257 -1.7682 0.4424 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2099 0.0963 -0.8692 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4514 1.2087 -0.4229 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9964 1.1361 1.3634 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3607 -0.3776 0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0159 1.1270 -0.7225 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2524 -1.2793 1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2368 0.1896 -0.9229 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