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Fluorescamine
CAS: 38183-12-9 | C17H10O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
38183-12-9
Molecular Formula:
C17H10O4
Molecular Mass:
278.26 g/mol
Names and Synonyms:
Fluorescamine
Spiro[furan-2(3H),1′(3′H)-isobenzofuran]-3,3′-dione, 4-phenyl-
4-Phenylspiro[furan-2(3H),1′(3′H)-isobenzofuran]-3,3′-dione
4-Phenylspiro[furan-2(3H),1′-phthalan]-3,3′-dione
Fluorescamine
Ro 20-7234
Fluram
Identifiers:
SMILES:
O=C1OC2(OC=C(c3ccccc3)C2=O)c2ccccc21
InChI:
InChI=1S/C17H10O4/c18-15-13(11-6-2-1-3-7-11)10-20-17(15)14-9-5-4-8-12(14)16(19)21-17/h1-10H
Key Properties
Melting Point
154.5 °C
CAS Common Chemistry
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 | 278.26 g/mol | CAS Common Chemistry |
| 278.26300000000003 g/mol | RDKit | |
| 278.0579088 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fluorescamine | CAS Common Chemistry |
| Canonical SMILES | O=C1OC2(OC=C(C=3C=CC=CC3)C2=O)C=4C=CC=CC14 | CAS Common Chemistry |
| InChI | InChI=1S/C17H10O4/c18-15-13(11-6-2-1-3-7-11)10-20-17(15)14-9-5-4-8-12(14)16(19)21-17/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=ZFKJVJIDPQDDFY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 154.5 °C | CAS Common Chemistry |
| Name | Fluorescamine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 2.6502000000000008 | RDKit |
| Molar Refractivity | 74.04650000000002 | RDKit |
