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
-1.8495 0.8500 0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5390 0.1772 0.6432 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2189 -0.1128 -0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4910 -0.7733 -0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8743 -1.0729 0.9476 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3227 -1.0979 -1.2692 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6916 1.9374 0.7575 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3232 0.7100 -0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5122 0.4598 1.3436 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1943 -0.0876 1.6315 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1235 0.1502 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3262 -1.1400 -1.1448 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