Monomers
Acrylic anhydride
Identifiers
IUPAC name
prop-2-enoyl prop-2-enoate
InchI
InChI=1S/C6H6O3/c1-3-5(7)9-6(8)4-2/h3-4H,1-2H2
InchI Key
ARJOQCYCJMAIFR-UHFFFAOYSA-N
SMILES
C=CC(=O)OC(=O)C=C
Canonical SMILES
C=CC(=O)OC(=O)C=C
Isomeric SMILES
C=CC(=O)OC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H6O3
Heavy Atom Count
9
Molecular Weight
126.111
Exact Molecular Weight
126.0317
Valence Electrons
48
Radical Electrons
0
tPSA
43.37
MolLogP
0.4282
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
-2.2148 -1.1778 1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4860 -0.1810 0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3997 0.5483 -0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6538 1.4930 -1.2224 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0655 0.2028 -0.1680 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9975 0.8998 -0.7609 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6926 1.8309 -1.5321 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3761 0.5348 -0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6864 -0.4400 0.3336 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2042 -1.4818 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9995 -1.7466 1.4899 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4935 0.1098 -0.0489 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1515 1.1017 -0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8912 -1.0134 0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7217 -0.6806 0.5213 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 2 0
6 8 1 0
8 9 2 3
1 10 1 0
1 11 1 0
2 12 1 0
8 13 1 0
9 14 1 0
9 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers