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750647-96-2 | 1H-Imidazole,1-ethynyl-2-(3-methoxy-1-propynyl)-(9CI)
CAS No: 750647-96-2 Catalog No: AG00GDFP MDL No:
Product Description
Catalog Number:
AG00GDFP
Chemical Name:
1H-Imidazole,1-ethynyl-2-(3-methoxy-1-propynyl)-(9CI)
CAS Number:
750647-96-2
IUPAC Name:
1-ethynyl-2-(3-methoxyprop-1-ynyl)imidazole
InChI:
InChI=1S/C9H8N2O/c1-3-11-7-6-10-9(11)5-4-8-12-2/h1,6-7H,8H2,2H3
InChI Key:
AVFYHMHFDOZJCP-UHFFFAOYSA-N
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Cytotoxic 1,2-dialkynylimidazole-based aza-enediynes: aza-Bergman rearrangement rates do not predict cytotoxicity. | Journal of medicinal chemistry 20110728 |
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