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
-1.2769 0.6954 0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9595 -0.7369 -0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2752 -1.1538 -0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4386 -0.2920 -0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5974 -0.7487 -0.1322 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2669 1.0671 0.1006 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8886 1.3054 -0.7461 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3910 0.8536 0.2181 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8434 1.0201 1.0826 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7663 -1.4412 -0.1216 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4692 -2.2339 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0785 1.6650 -0.0089 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