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127196-36-5,MFCD09952282
Catalog No.:AA000WO0

127196-36-5 | 3-Butene-1,2-diol, 4-(2-quinoxalinyl)-, [S-(E)]- (9CI)

Pack Size
Purity
Availability
Price(USD)
Quantity
  
2.5mg
2 weeks  
$2,031.00   $1,422.00
- +
12.5mg
2 weeks  
$5,041.00   $3,529.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000WO0
Chemical Name:
3-Butene-1,2-diol, 4-(2-quinoxalinyl)-, [S-(E)]- (9CI)
CAS Number:
127196-36-5
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD09952282
SMILES:
OC[C@H](/C=C/c1cnc2c(n1)cccc2)O
Properties
Computed Properties
 
Complexity:
245  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.4  

Literature
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SDS
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Tags:127196-36-5 Molecular Formula|127196-36-5 MDL|127196-36-5 SMILES|127196-36-5 3-Butene-1,2-diol, 4-(2-quinoxalinyl)-, [S-(E)]- (9CI)
Catalog No.: AA000WO0
127196-36-5,MFCD09952282
127196-36-5 | 3-Butene-1,2-diol, 4-(2-quinoxalinyl)-, [S-(E)]- (9CI)
Pack Size： 2.5mg
Purity：
2 weeks
$2,031.00 $1,422.00
Pack Size： 12.5mg
Purity：
2 weeks
$5,041.00 $3,529.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000WO0
Chemical Name: 3-Butene-1,2-diol, 4-(2-quinoxalinyl)-, [S-(E)]- (9CI)
CAS Number: 127196-36-5
Molecular Formula: C12H12N2O2
Molecular Weight: 216.2359
MDL Number: MFCD09952282
SMILES: OC[C@H](/C=C/c1cnc2c(n1)cccc2)O
Properties
Complexity: 245  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.4  
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