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158868-12-3 | Pyrimidine, hydrate (1:1)
CAS No: 158868-12-3 Catalog No: AG001QZ4 MDL No:
Product Description
Catalog Number:
AG001QZ4
Chemical Name:
Pyrimidine, hydrate (1:1)
CAS Number:
158868-12-3
Molecular Formula:
C4H6N2O
Molecular Weight:
98.1032
IUPAC Name:
pyrimidine;hydrate
InChI:
InChI=1S/C4H4N2.H2O/c1-2-5-4-6-3-1;/h1-4H;1H2
InChI Key:
LSYJHRREPKXURZ-UHFFFAOYSA-N
SMILES:
c1ccncn1.O
Properties
Complexity:
32.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.048g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
98.105g/mol
Monoisotopic Mass:
98.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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