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Home Carboxys 1,4,6,7-Tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid

1,4,6,7-Tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid

CAS No.:
518990-20-0
Catalog Number:
AG00DCYP
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$200
- +
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG00DCYP
Chemical Name:
1,4,6,7-Tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid
CAS Number:
518990-20-0
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD01553045
IUPAC Name:
1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid
InChI:
InChI=1S/C7H8N2O3/c10-7(11)6-4-3-12-2-1-5(4)8-9-6/h1-3H2,(H,8,9)(H,10,11)
InChI Key:
YICMXCDJSOOXSM-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c2c1COCC2
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Literature
Title Journal
Agonist lead identification for the high affinity niacin receptor GPR109a. Bioorganic & medicinal chemistry letters 20070901
Properties