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Home > Aldehydes > 1588441-19-3
1588441-19-3 | 2-AMinopyriMidine-5-carbaldehyde hydrate
CAS No: 1588441-19-3 Catalog No: AG00ASMS MDL No:MFCD23703063
Product Description
Catalog Number:
AG00ASMS
Chemical Name:
2-AMinopyriMidine-5-carbaldehyde hydrate
CAS Number:
1588441-19-3
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
MDL Number:
MFCD23703063
IUPAC Name:
2-aminopyrimidine-5-carbaldehyde;hydrate
InChI:
InChI=1S/C5H5N3O.H2O/c6-5-7-1-4(3-9)2-8-5;/h1-3H,(H2,6,7,8);1H2
InChI Key:
PHVPVNJOQMPONA-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1)N.O
Properties
Complexity:
98.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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