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
-2.0163 -0.0080 0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5583 -0.2257 0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3084 0.4447 -0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7334 0.1980 -0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4873 0.8659 -1.1701 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2466 -0.7652 0.3956 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4468 -0.0884 1.3067 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4595 -0.7998 -0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2965 0.9623 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1589 -0.9785 0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0818 1.2209 -1.1516 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2424 -0.8261 0.6426 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