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Cas Database |
| Name |
Marmesin |
EINECS | N/A |
| CAS No. | 13849-08-6 | Density | 1.334g/cm3 |
| PSA | 59.67000 | LogP | 1.86740 |
| Solubility | N/A | Melting Point |
189-191℃ |
| Formula | C14H14 O4 | Boiling Point | 434°Cat760mmHg |
| Molecular Weight | 246.263 | Flash Point | 168°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
7H-Furo[3,2-g][1]benzopyran-7-one,2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-;7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-,(S)-(+)- (8CI); Marmesin (6CI,7CI); (+)-Marmesin; (S)-Marmesin; NSC 340840;S-(+)-Marmesin |
Article Data | 30 |
Marmesin Chemical Properties
Product Name: Marmesin
CAS Registry Number: 13849-08-6
Synonyms: (S)-Marmesin ; CCRIS 5728 ; Marmesin ; NSC 340840
Systematic Name: 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-(+)- ; Marmesin
IUPAC Name: (2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
Molecular Weight: 246.25856 [g/mol]
Molecular Formula: C14H14O4
XLogP3-AA: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 4
Surface Tension: 55.9 dyne/cm
Density: 1.334 g/cm3
Flash Point: 168 °C
Enthalpy of Vaporization: 72.73 kJ/mol
Boiling Point: 434 °C at 760 mmHg
Vapour Pressure: 2.66E-08 mmHg at 25°C
Following is the molecular structure of Marmesin (CAS NO.13849-08-6) is:
Marmesin Toxicity Data With Reference
| 1. | mic-sat 1040 ng/plate | JTEHD6 Journal of Toxicology and Environmental Health. 13 (1984),521. |
Marmesin Safety Profile
Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
Marmesin Specification
Descriptors computed from structure, you can know some information about Marmesin (CAS NO.13849-08-6) :
Canonical SMILES: CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O
Isomeric SMILES: CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O
InChI: InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1
InChIKey: FWYSBEAFFPBAQU-LBPRGKRZSA-N
Exact Mass: 246.089209
MonoIsotopic Mass: 246.089209
Topological Polar Surface Area: 55.8
Heavy Atom Count: 18
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