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2,2-Bis[4-(3,4-Dicarboxyphenoxy)Phenyl]Propane Dianhydride
CAS: 38103-06-9 | C31H20O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
38103-06-9
Molecular Formula:
C31H20O8
Molecular Mass:
520.49 g/mol
Names and Synonyms:
2,2-Bis[4-(3,4-Dicarboxyphenoxy)Phenyl]Propane Dianhydride
1,3-Isobenzofurandione, 5,5′-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-
5,5′-[(1-Methylethylidene)bis(4,1-phenyleneoxy)]bis[1,3-isobenzofurandione]
4,4′-[4,4′-Isopropylidenedi(p-phenyleneoxy)]bis(phthalic anhydride)
2,2-Bis[4-(3,4-dicarboxyphenoxy)phenyl]propane dianhydride
4,4′-[Isopropylidenebis(p-phenyleneoxy)]diphthalic anhydride
Ultem DA
Bisphenol A dianhydride
BPADA
4,4′-(4,4′-Isopropylidenediphenoxybis(phthalic anhydride)
s-BPADA
BSAA
4,4′-Bisphenol A diphthalic anhydride
BisDA 2000
4,4′-[(Isopropylidene)bis(p-phenyleneoxy)]diphthalic dianhydride
BisDA 1000
[4,4′-[Propane-2,2-diylbis(1,4-phenyleneoxy)]diphthalic] acid dianhydride
4,4′-(4,4′-Isopropylidenediphenoxy)bisphthalic dianhydride
4,4′-(4,4′-Isopropylidenediphenoxy)diphthalic anhydride
4,4′-(4,4′-Isopropylidenediphenoxy)diphthalic dianhydride
Identifiers:
SMILES:
CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1
InChI:
InChI=1S/C31H20O8/c1-31(2,17-3-7-19(8-4-17)36-21-11-13-23-25(15-21)29(34)38-27(23)32)18-5-9-20(10-6-18)37-22-12-14-24-26(16-22)30(35)39-28(24)33/h3-16H,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 520.49 g/mol | CAS Common Chemistry |
| 520.4930000000003 g/mol | RDKit | |
| 520.1158175999999 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(=O)C2=CC(OC3=CC=C(C=C3)C(C4=CC=C(OC5=CC=C6C(=O)OC(=O)C6=C5)C=C4)(C)C)=CC=C12 | CAS Common Chemistry |
| InChI | InChI=1S/C31H20O8/c1-31(2,17-3-7-19(8-4-17)36-21-11-13-23-25(15-21)29(34)38-27(23)32)18-5-9-20(10-6-18)37-22-12-14-24-26(16-22)30(35)39-28(24)33/h3-16H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MQAHXEQUBNDFGI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2-Bis[4-(3,4-dicarboxyphenoxy)phenyl]propane dianhydride | CAS Common Chemistry |
| Heavy Atom Count | 39 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 105.20000000000002 Ų | RDKit |
| LogP | 6.218300000000005 | RDKit |
| Molar Refractivity | 137.5359999999999 | RDKit |
