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169777-55-3,MFCD27945961
Catalog No.:AA01EJV4
169777-55-3 | 2,5-dioxo-5,6,7,8-tetrahydro-2H-chromene-3-carbonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95.0%
3 weeks  
$194.00
- +
250mg
95.0%
3 weeks  
$260.00
- +
500mg
95.0%
3 weeks  
$466.00
- +
1g
95.0%
3 weeks  
$656.00
- +
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA01EJV4
Chemical Name:
2,5-dioxo-5,6,7,8-tetrahydro-2H-chromene-3-carbonitrile
CAS Number:
169777-55-3
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD27945961
IUPAC Name:
2,5-dioxo-7,8-dihydro-6H-chromene-3-carbonitrile
InChI:
InChI=1S/C10H7NO3/c11-5-6-4-7-8(12)2-1-3-9(7)14-10(6)13/h4H,1-3H2
InChI Key:
AOOPGVASYVXMMV-UHFFFAOYSA-N
SMILES:
N#Cc1cc2C(=O)CCCc2oc1=O
Properties
Computed Properties
 
Complexity:
434  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

Synonyms
 
169777-55-3 
2H-1-Benzopyran-3-carbonitrile, 5,6,7,8-tetrahydro-2,5-dioxo- 
2,5-dioxo-5,6,7,8-tetrahydro-2H-chromene-3-carbonitrile 
2,5-Dioxo-5,6,7,8-tetrahydro-2H-1-benzopyran-3-carbonitrile 
Literature
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