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Home Other Building Blocks 9-Ethynylphenanthrene

9-Ethynylphenanthrene

CAS No.:
32870-98-7
Catalog Number:
AG007IM2
Molecular Formula:
C16H10
Molecular Weight:
202.2506
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(GC)
1 week
United States
$146
- +
5g
>98.0%(GC)
1 week
United States
$420
- +
Product Description
Catalog Number:
AG007IM2
Chemical Name:
9-Ethynylphenanthrene
CAS Number:
32870-98-7
Molecular Formula:
C16H10
Molecular Weight:
202.2506
MDL Number:
MFCD05664210
IUPAC Name:
9-ethynylphenanthrene
InChI:
InChI=1S/C16H10/c1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16/h1,3-11H
InChI Key:
FMKVRRYQWWPOAL-UHFFFAOYSA-N
SMILES:
C#Cc1cc2ccccc2c2c1cccc2
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.078g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.256g/mol
Monoisotopic Mass:
202.078g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
Testosterone hydroxylation in bovine liver: enzyme kinetic and inhibition study. Xenobiotica; the fate of foreign compounds in biological systems 20100401
Reverse type I binding spectra of human cytochrome P450 1B1 induced by flavonoid, stilbene, pyrene, naphthalene, phenanthrene, and biphenyl derivatives that inhibit catalytic activity: a structure-function relationship study. Chemical research in toxicology 20090701
Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity. Current drug metabolism 20051001
Properties