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
3.3006 -0.5829 -0.5095 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9987 -0.7950 -0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1130 0.2707 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5654 1.4197 0.3147 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2305 0.0575 0.1192 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1612 1.0007 0.5213 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7582 2.1387 0.8193 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5590 0.6353 0.5813 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9558 -0.5713 0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7063 0.3881 -0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9753 -1.3557 -0.8282 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5648 -1.7533 -0.6539 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2821 1.3631 0.8921 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2781 -1.3614 -0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9994 -0.8542 0.3033 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