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Home Aldehydes 2,4-Diamino-6-hydroxypyrimidine-5-carbaldehyde hydrate

2,4-Diamino-6-hydroxypyrimidine-5-carbaldehyde hydrate

CAS No.:
1609404-27-4
Catalog Number:
AG00J1DT
Molecular Formula:
C5H8N4O3
Molecular Weight:
172.1420
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00J1DT
Chemical Name:
2,4-Diamino-6-hydroxypyrimidine-5-carbaldehyde hydrate
CAS Number:
1609404-27-4
Molecular Formula:
C5H8N4O3
Molecular Weight:
172.1420
MDL Number:
MFCD03181315
IUPAC Name:
2,4-diamino-6-oxo-1H-pyrimidine-5-carbaldehyde;hydrate
InChI:
InChI=1S/C5H6N4O2.H2O/c6-3-2(1-10)4(11)9-5(7)8-3;/h1H,(H5,6,7,8,9,11);1H2
InChI Key:
NKFDKUYIGQNBPW-UHFFFAOYSA-N
SMILES:
O=Cc1c(N)nc(nc1O)N.O
Properties
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.06g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
172.144g/mol
Monoisotopic Mass:
172.06g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties