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28656-91-9 | 2,4-Cyclohexadiene-1-acetonitrile, 3,5-dibromo-1,6-dihydroxy-4-methoxy-, (1S,6R)-
CAS No: 28656-91-9 Catalog No: AG002VZM MDL No:
Product Description
Catalog Number:
AG002VZM
Chemical Name:
2,4-Cyclohexadiene-1-acetonitrile, 3,5-dibromo-1,6-dihydroxy-4-methoxy-, (1S,6R)-
CAS Number:
28656-91-9
Molecular Formula:
C9H9Br2NO3
Molecular Weight:
338.9807
IUPAC Name:
2-[(1S,6R)-3,5-dibromo-1,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-yl]acetonitrile
InChI:
InChI=1S/C9H9Br2NO3/c1-15-7-5(10)4-9(14,2-3-12)8(13)6(7)11/h4,8,13-14H,2H2,1H3/t8-,9-/m0/s1
InChI Key:
BGYNLOSBKBOJJD-IUCAKERBSA-N
SMILES:
N#CC[C@]1(O)C=C(Br)C(=C([C@@H]1O)Br)OC
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
338.893g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.983g/mol
Monoisotopic Mass:
336.895g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Cytotoxic activity of aeroplysinin-1 against colon cancer cells by promoting β-catenin degradation. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20160701 |
| A modified chorioallantoic membrane assay allows for specific detection of endothelial apoptosis induced by antiangiogenic substances. | Angiogenesis 20030101 |
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