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133-26-6 | 7H-Furo[3,2-g][1]benzopyran-7-one, 3-methoxy-2-(1-methylethyl)-
CAS No: 133-26-6 Catalog No: AG0011HC MDL No:
Product Description
Catalog Number:
AG0011HC
Chemical Name:
7H-Furo[3,2-g][1]benzopyran-7-one, 3-methoxy-2-(1-methylethyl)-
CAS Number:
133-26-6
Molecular Formula:
C15H14O4
Molecular Weight:
258.2693
IUPAC Name:
3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one
InChI:
InChI=1S/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3
InChI Key:
YQBNJPACAUPNLV-UHFFFAOYSA-N
SMILES:
COc1c(oc2c1cc1ccc(=O)oc1c2)C(C)C
UNII:
N021633LOB
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.273g/mol
Monoisotopic Mass:
258.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Coumarins from Peucedanum luxurians. | Fitoterapia 20070901 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| A new irregular diterpenoid from Opopanax chironium. | Fitoterapia 20051201 |
| Secondary metabolites of Peucedanum tauricum fruits. | Phytochemistry 20050301 |
| A bioassay using the human hepatoblastoma cell line HepG2 for detecting phototoxicity of furocoumarins. | Planta medica 20011001 |
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