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870480-13-0 | 4H-1-Benzopyran-4-one, 3-iodo-5,6-dimethoxy-7-(1-methylethoxy)-
CAS No: 870480-13-0 Catalog No: AG004JWI MDL No:
Product Description
Catalog Number:
AG004JWI
Chemical Name:
4H-1-Benzopyran-4-one, 3-iodo-5,6-dimethoxy-7-(1-methylethoxy)-
CAS Number:
870480-13-0
Molecular Formula:
C14H15IO5
Molecular Weight:
390.1704
IUPAC Name:
3-iodo-5,6-dimethoxy-7-propan-2-yloxychromen-4-one
InChI:
InChI=1S/C14H15IO5/c1-7(2)20-10-5-9-11(12(16)8(15)6-19-9)14(18-4)13(10)17-3/h5-7H,1-4H3
InChI Key:
TWFJBYDLYAZWHW-UHFFFAOYSA-N
SMILES:
COc1c(OC(C)C)cc2c(c1OC)c(=O)c(co2)I
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.996g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.173g/mol
Monoisotopic Mass:
389.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Synthesis of a capillarisin sulfur-analogue possessing aldose reductase inhibitory activity by selective isopropylation. | Chemical & pharmaceutical bulletin 20050901 |
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