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309252-38-8 | 4H-1-Benzopyran-4-one, 7-(3-bromopropoxy)-3-(4-hydroxyphenyl)-
CAS No: 309252-38-8 Catalog No: AG0031OP MDL No:
Product Description
Catalog Number:
AG0031OP
Chemical Name:
4H-1-Benzopyran-4-one, 7-(3-bromopropoxy)-3-(4-hydroxyphenyl)-
CAS Number:
309252-38-8
Molecular Formula:
C18H15BrO4
Molecular Weight:
375.2133
IUPAC Name:
7-(3-bromopropoxy)-3-(4-hydroxyphenyl)chromen-4-one
InChI:
InChI=1S/C18H15BrO4/c19-8-1-9-22-14-6-7-15-17(10-14)23-11-16(18(15)21)12-2-4-13(20)5-3-12/h2-7,10-11,20H,1,8-9H2
InChI Key:
JMDIKMSOYUTVEL-UHFFFAOYSA-N
SMILES:
BrCCCOc1ccc2c(c1)occ(c2=O)c1ccc(cc1)O
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.015g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
375.218g/mol
Monoisotopic Mass:
374.015g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Synthesis of potential antidipsotropic isoflavones: inhibitors of the mitochondrial monoamine oxidase-aldehyde dehydrogenase pathway. | Journal of medicinal chemistry 20010927 |
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