Home Carboxys 4,5,6,7-Tetrahydro-1h-imidazo[4,5-c]pyridine-6-carboxylic acid dihydrate

4,5,6,7-Tetrahydro-1h-imidazo[4,5-c]pyridine-6-carboxylic acid dihydrate

CAS No.:
5145-41-5
Catalog Number:
AG00J3FV
Molecular Formula:
C7H13N3O4
Molecular Weight:
203.1958
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
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Product Description
Catalog Number:
AG00J3FV
Chemical Name:
4,5,6,7-Tetrahydro-1h-imidazo[4,5-c]pyridine-6-carboxylic acid dihydrate
CAS Number:
5145-41-5
Molecular Formula:
C7H13N3O4
Molecular Weight:
203.1958
MDL Number:
MFCD00222266
IUPAC Name:
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrate
InChI:
InChI=1S/C7H9N3O2.2H2O/c11-7(12)5-1-4-6(2-8-5)10-3-9-4;;/h3,5,8H,1-2H2,(H,9,10)(H,11,12);2*1H2
InChI Key:
SDDIHJABHHXPRE-UHFFFAOYSA-N
SMILES:
OC(=O)C1NCc2c(C1)[nH]cn2.O.O
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.091g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
203.198g/mol
Monoisotopic Mass:
203.091g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties