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1891-25-4 | 2H-Furo[2,3-h]-1-benzopyran-2-one, 8-(1-hydroxy-1-methylethyl)-
CAS No: 1891-25-4 Catalog No: AG002HVJ MDL No:
Product Description
Catalog Number:
AG002HVJ
Chemical Name:
2H-Furo[2,3-h]-1-benzopyran-2-one, 8-(1-hydroxy-1-methylethyl)-
CAS Number:
1891-25-4
Molecular Formula:
C14H12O4
Molecular Weight:
244.2427
IUPAC Name:
8-(2-hydroxypropan-2-yl)furo[2,3-h]chromen-2-one
InChI:
InChI=1S/C14H12O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-7,16H,1-2H3
InChI Key:
KDJVHSVOXOZBDR-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(o1)c1cc(oc1cc2)C(O)(C)C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.246g/mol
Monoisotopic Mass:
244.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Biotransformation of columbianadin by rat hepatic microsomes and inhibition of biotransformation products on NO production in RAW 264.7 cells in vitro. | Phytochemistry 20120901 |
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